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Butanoic acid, 2-methyl-, 3-methylbutyl ester
SpectraBase Compound ID DIlf9mPdj8N
InChI InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey VGIRHYHLQKDEPP-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dl6FYcbBWHg
Name iso-Pentyl-2-methylbutanoate
CAS Registry Number 27625-35-0
Classification Synthetic flavor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 172.146329882 u
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey VGIRHYHLQKDEPP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 172.268 g/mol
Nominal Mass 172 u
Quality 993
Retention Index 1190
SMILES C(C(CC)C)(OCCC(C)C)=O
SPLASH splash10-05fu-9000000000-b650b6d2efaf35c40a75
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Isoamyl 2-methyl butyrate 3-Methylbutyl-2-methylbutanoate
Technique GC/MS
Wiley ID DD2024_005672