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Ethyl heptanoate

View entire compound with spectra: 7 NMR, 15 FTIR, 2 Raman, 23 MS (GC), and 2 Near IR

Ethyl heptanoate
SpectraBase Compound ID bHtmpk0nHq
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
InChIKey TVQGDYNRXLTQAP-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoNTAR6WHjv
Name Heptanoic acid, ethyl ester
CAS Registry Number 106-30-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
InChIKey TVQGDYNRXLTQAP-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCCCCCC(=O)OCC
SPLASH splash10-01w3-9100000000-b7d43d7d060916b4fbc8
Source of Spectrum MG-36-0-0
Synonyms Heptanoic acid ethyl ester Aether oenanthicus Cognac oil Enanthic acid ethyl ester Enanthylic ether Ethyl enantate Ethyl enanthate Ethyl ester of heptanoic acid Ethyl heptanoate Ethyl heptoate Ethyl heptylate Ethyl n-heptanoate Ethyl oenanthate Ethyl oenanthylate Grape oil Oenanthic ether Oleum vitis viniferae Wine oil AI3-24251 BRN 1752311 CCRIS 1344 EINECS 203-382-9 FEMA NO. 2437 NSC 8891
Wiley ID 1155409