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Hexanoic acid isopropyl ester
SpectraBase Compound ID EDyr8EVcX0b
InChI InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
InChIKey JSHDAORXSNJOBA-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 JIH16CqxXb7
Name Hexanoic acid, 1-methylethyl ester
CAS Registry Number 2311-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
InChIKey JSHDAORXSNJOBA-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCCCCC(=O)OC(C)C
SPLASH splash10-0006-9100000000-cce0bee095cb55812d69
Source of Spectrum AA-0-993-2
Synonyms 1-Methylethyl hexanoate Hexanoic acid isopropyl ester Hexanoic acid propan-2-yl ester iso-Propyl n-hexanoate Isopropyl caproate Isopropyl capronate Isopropyl hexanoate Isopropyl hexylate N-C5H11C(O)OCH(CH3)2 n-Caproic acid isopropyl ester Propan-2-yl hexanoate AI3-06020 EINECS 219-000-9 FEMA NO. 2950
Wiley ID 12261