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Ethyl 4-Methylheptanoate
SpectraBase Compound ID Ey5DyCwTS7Q
InChI InChI=1S/C10H20O2/c1-4-6-9(3)7-8-10(11)12-5-2/h9H,4-8H2,1-3H3
InChIKey NYSADWJQUICPEE-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Zw37In76yQ
Name Heptanoic acid, 4-methyl-, ethyl ester
CAS Registry Number 22084-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-6-9(3)7-8-10(11)12-5-2/h9H,4-8H2,1-3H3
InChIKey NYSADWJQUICPEE-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(=O)(CCC(CCC)C)OCC
SPLASH splash10-0kmr-9300000000-ad712d9aac3c359f52fa
Source of Spectrum N-22-426-11
Synonyms Ethyl 4-Methylheptanoate 4-Methylheptanoic acid ethyl ester
Wiley ID 1168997