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Butanoic acid, 3-methyl-, propyl ester
SpectraBase Compound ID EKvvUK1S0tX
InChI InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey LSJMDWFAADPNAX-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2v6Vu0TPWq
Name Butanoic acid, 3-methyl-, propyl ester
Alternate Name(s) Isovaleric acid, propyl ester Propyl 3-methylbutanoate 3-Methylbutanoic acid propyl ester 3-Methylbutyric acid propyl ester n-Propyl iso-valerate Propyl 3-methylbutyrate Propyl isopentanoate Propyl isovalerate Propyl isovalerianate AI3-33613 BRN 1747146 EINECS 209-148-2 FEMA NO. 2960
CAS Registry Number 557-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey LSJMDWFAADPNAX-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
SMILES CC(CC(=O)OCCC)C
SPLASH splash10-0gvx-9100000000-bd19a7f5698e38d60837
Source of Spectrum MG-795-0-0
Wiley ID 1142669