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Ethyl 4-methyloctanoate
SpectraBase Compound ID J3RNbgBuBOn
InChI InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3
InChIKey GXARNRCIGKRBAP-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 1YknbvRX0a
Name Ethyl 4-methyloctanoate
Alternate Name(s) Octanoic acid, 4-methyl-, ethyl ester, (.+-.)- 4-Methylcaprylic acid ethyl ester 4-Methyloctanoic acid ethyl ester Octanoic acid, 4-methyl-, ethyl ester, (.+/-.)-
CAS Registry Number 54831-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3
InChIKey GXARNRCIGKRBAP-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(=O)(CCC(CCCC)C)OCC
SPLASH splash10-0pbi-9400000000-026c202e0e939dbff6ca
Source of Spectrum AT-37-3140-0
Wiley ID 853478