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Isobutylacetate
SpectraBase Compound ID 21eblJKSqoB
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4a5vUwT058S
Name Acetic acid, 2-methylpropyl ester
CAS Registry Number 110-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES CC(COC(C)=O)C
SPLASH splash10-0006-9000000000-f0cf1b714abe3f273784
Source of Spectrum AA-0-430-1
Synonyms Acetic acid, isobutyl ester .beta.-Methylpropyl ethanoate 2-Methyl-1-propyl acetate 2-Methylpropyl ethanoate Acetate d'isobutyle iso-Butyl acetate Isobutyl ethanoate Isobutylester kyseliny octove Acetic acid 2-methylpropyl ester 2-Methylpropyl acetate Isobutyl acetate AI3-15305 BRN 1741909 EINECS 203-745-1 FEMA NO. 2175 HSDB 609 NSC 8035 UN1213
Wiley ID 69705