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Methyl 2-propylpentanoate
SpectraBase Compound ID GSOkMy4mpTO
InChI InChI=1S/C9H18O2/c1-4-6-8(7-5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey WPRYUWYMOZQHIY-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 JHaIZpIVY3s
Name Valproic acid ME
CAS Registry Number 22632-59-3
Classification Pharmaceutical drug, anticonvulsant
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-8(7-5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey WPRYUWYMOZQHIY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 158.241 g/mol
Nominal Mass 158 u
Quality 830
Retention Index 1090
SMILES C(C(OC)=O)(CCC)CCC
SPLASH splash10-00kr-9300000000-3129829212670e575fc3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 2-propylpentanoate
Technique GC/MS
Wiley ID DD2024_006184