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Heptanoic acid, isopropyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 5 MS (GC)

Heptanoic acid, isopropyl ester
SpectraBase Compound ID 7MiAi1GJ3kv
InChI InChI=1S/C10H20O2/c1-4-5-6-7-8-10(11)12-9(2)3/h9H,4-8H2,1-3H3
InChIKey RMQUEHVMCJEEOS-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 AuOxg5jdr8i
Name Heptanoic acid, 1-methylethyl ester
CAS Registry Number 34997-46-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-8-10(11)12-9(2)3/h9H,4-8H2,1-3H3
InChIKey RMQUEHVMCJEEOS-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(=O)(CCCCCC)OC(C)C
SPLASH splash10-01ox-9100000000-568108698b6c52e4aa86
Synonyms Isopropyl heptanoate enanthic acid isopropyl ester Heptanoic acid propan-2-yl ester iso-Propyl n-heptanoate Propan-2-yl heptanoate
Wiley ID 1494713