CHEBI:179878 - 3-Heptyl acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Heptyl acetate
ChEBI ID CHEBI:179878
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.241
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
InChIKey QICIMADZMWGDTQ-UHFFFAOYSA-N
SMILES O(C(CCCC)CC)C(=O)C
ChEBI Ontology
Outgoing 3-Heptyl acetate (CHEBI:179878) is a carboxylic ester (CHEBI:33308)
IUPAC Name
heptan-3-yl acetate
Manual Xrefs Databases
468212 ChemSpider
HMDB0032309 HMDB
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Registry Number Type Source
5921-83-5 CAS Registry Number ChemIDplus