Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:145973 - nonanophenone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
nonanophenone
ChEBI ID
CHEBI:145973
Definition
An aromatic ketone that consists of benzene substituted by a nonanoyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C15H22O
Net Charge
0
Average Mass
218.340
Monoisotopic Mass
218.16707
InChI
InChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey
PFUPABFCHVRLLY-UHFFFAOYSA-N
SMILES
O=C(CCCCCCCC)C1=CC=CC=C1
ChEBI Ontology
Outgoing
nonanophenone (
CHEBI:145973
)
is a
aromatic ketone (
CHEBI:76224
)
IUPAC Name
1-phenylnonan-1-one
Synonyms
Sources
1-phenyl-1-nonanone
NIST Chemistry WebBook
n-nonanophenone
NIST Chemistry WebBook
n-octyl phenyl ketone
NIST Chemistry WebBook
nonanophenone
ChEBI
octyl phenyl ketone
ChEBI
octylphenyl ketone
ChEBI
Manual Xref
Database
HMDB0094674
HMDB
View more database links
Registry Numbers
Types
Sources
2047454
Reaxys Registry Number
Reaxys
6008-36-2
CAS Registry Number
ChemIDplus
6008-36-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
17373555
PubMed citation
Europe PMC
31301531
PubMed citation
Europe PMC
Last Modified
06 February 2020