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4'-Benzyloxy[1,2-13C2]phenylacetic acid
SpectraBase Compound ID HDRfm8BFxIL
InChI InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)/i10+1,15+1
InChIKey XJHGAJLIKDAOPE-KRYYRCHBSA-N
Mol Weight 244.26 g/mol
Molecular Formula C1313C2H14O3
Exact Mass 244.101004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJmynXkQDHO
Name 4'-Benzyloxy[1,2-13C2]phenylacetic acid
Comments Less than 3 mono-isotopic peaks; Original formula: C13[13C]2H14O3
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Formula C15H14O3
InChI InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)/i10+1,15+1
InChIKey XJHGAJLIKDAOPE-KRYYRCHBSA-N
Molecular Weight 244.259 g/mol
SMILES [13CH2]([13C](=O)O)c1ccc(OCc2ccccc2)cc1
SPLASH splash10-0006-9010000000-49834d6a2fe381d8cbe1
Source of Spectrum KC-60-1891-19
Wiley ID 1583562