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5-Ethylheptanoate
SpectraBase Compound ID FGl9rlg3Vad
InChI InChI=1S/C11H22O2/c1-4-10(5-2)8-7-9-11(12)13-6-3/h10H,4-9H2,1-3H3
InChIKey XFAIBXLZDGEJLE-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNbA3vh7ljQ
Name 5-Ethylheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-10(5-2)8-7-9-11(12)13-6-3/h10H,4-9H2,1-3H3
InChIKey XFAIBXLZDGEJLE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500464q
Molecular Weight 186.295 g/mol
SMILES C(CC)(CC)CCCC(=O)OCC
SPLASH splash10-059i-9100000000-dbe43c9b318b8c38d719
Source of Spectrum J-79-4004-3ha
Synonyms Ethyl 5-ethylheptanoate 5-Ethylheptanoic acid ethyl ester
Wiley ID 1746239