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Ethylbutyrate
SpectraBase Compound ID 5uZfIAc292u
InChI InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKey OBNCKNCVKJNDBV-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 4mRsEmeqU4l
Name Butanoic acid ethyl ester
CAS Registry Number 105-54-4
Classification Fragrance
Comments 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/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKey OBNCKNCVKJNDBV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 116.160 g/mol
Nominal Mass 116 u
Quality 791
Retention Index 790
SMILES C(OCC)(CCC)=O
SPLASH splash10-0096-9000000000-a0f95f57fe2aff2c1ee9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Butyric acid ethyl ester Ethyl butyrate Ethyl butanoate
Technique GC/MS
Wiley ID DD2024_022256