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Butanoic acid, 2-methyl-, 2-methylpropyl ester
SpectraBase Compound ID AJqqLvd1udA
InChI InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey NWZQCEQAPBRMFX-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 446DODLYIcK
Name Butanoic acid, 2-methyl-, 2-methylpropyl ester
Alternate Name(s) 2-Methyl-1-propyl 2-methylbutyrate 2-Methylbutanoic acid 2-methylpropyl ester 2-Methylbutyric acid isobutyl ester 2-Methylpropyl 2-methylbutanoate Butyric acid, 2-methyl-, isobutyl ester iso-Butyl 2-methyl butyrate Isobutyl 2-methylbutanoate AI3-33627 EINECS 219-492-5
CAS Registry Number 2445-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey NWZQCEQAPBRMFX-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(=O)(OCC(C)C)C(CC)C
SPLASH splash10-0a4i-9000000000-9182d4ad6d7698598277
Source of Spectrum XW-469-0-0
Wiley ID 1155432