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1-Methylbutyl butyrate
SpectraBase Compound ID 76JBZyiJnsi
InChI InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
InChIKey DJOCFLQKCMWABC-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 JOz5MGYnskf
Name 1-Methylbutyl butanoate
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
InChIKey DJOCFLQKCMWABC-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973N
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4205
Molecular Weight 158.241 g/mol
Number of Peaks 10
SMILES CCCC(OC(CCC)=O)C
SPLASH splash10-00dl-9000000000-8f7b0b9335a1603c2694
Source of Spectrum SFA-91-454-Table 4-21 (DOI: 10.1002/jsfa.4205)
Wiley ID 1838690