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Acetic acid butyl ester
SpectraBase Compound ID 4poB0lQ128D
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIKey DKPFZGUDAPQIHT-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 B0OFvKSXrXs
Name Butyl acetate
CAS Registry Number 123-86-4
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 116.083729624 u
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIKey DKPFZGUDAPQIHT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 116.160 g/mol
Nominal Mass 116 u
Quality 988
Retention Index 790
SMILES C(OCCCC)(=O)C
SPLASH splash10-0006-9000000000-956ed30dea1435215ae0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Butyl ethanoate n-Butyl acetate
Technique GC/MS
Wiley ID DD2024_006861