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Benzenebutanoic-carboxy,.gamma.-13C2 acid
SpectraBase Compound ID K4Ol3P0VwuL
InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/i7+1,10+1
InChIKey OBKXEAXTFZPCHS-ZCIFZXMMSA-N
Mol Weight 166.19 g/mol
Molecular Formula C813C2H12O2
Exact Mass 166.090439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Eisg9Uze2h
Name Benzenebutanoic-carboxy,.gamma.-13C2 acid
Alternate Name(s) 1,4-[¹³C]-4-phenylbutanoic acid
CAS Registry Number 67519-27-1
Comments Original formula: C8[13C]2H12O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/i7+1,10+1
InChIKey OBKXEAXTFZPCHS-ZCIFZXMMSA-N
Molecular Weight 166.189 g/mol
SMILES O[13C](CC[13CH2]c1ccccc1)=O
SPLASH splash10-0a4i-8900000000-89144fa53cab7b1ca7af
Source of Spectrum H-61-1750-0
Wiley ID 1160225