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Isobutyric acid-18O
SpectraBase Compound ID E88awtCyjlb
InChI InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i5+2
InChIKey KQNPFQTWMSNSAP-RHRFEJLCSA-N
Mol Weight 90.11 g/mol
Molecular Formula C4H8O18O
Exact Mass 90.056674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cUIn1Q9rDN
Name Isobutyric acid-18O
Comments Original formula: C4H8O[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H8O2
InChI InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i5+2
InChIKey KQNPFQTWMSNSAP-RHRFEJLCSA-N
Instrument Name Shimadzu GC-MS-QP2010 plus
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100579
Molecular Weight 90.106 g/mol
SMILES [18OH]C(C(C)C)=O
SPLASH splash10-0006-9000000000-e9b08f956762a8d5d1ff
Source of Spectrum AJO-10-SM4-Figure S2-(a)
Wiley ID 1868665