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4-Benzyloxy-benzoic acid-[carbonyl-13C]
SpectraBase Compound ID DDxI86tcJov
InChI InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)/i14+1
InChIKey AQSCHALQLXXKKC-UJKGMGNHSA-N
Mol Weight 229.24 g/mol
Molecular Formula C1313CH12O3
Exact Mass 229.081999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMcBBcfupd5
Name 4-Benzyloxy-benzoic acid-[carbonyl-13C]
Alternate Name(s) 4-Benzyloxy[carboxy-¹³C]benzoic acid
Comments Less than 3 mono-isotopic peaks; Original formula: C13[13C]H12O3
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Formula C14H12O3
InChI InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)/i14+1
InChIKey AQSCHALQLXXKKC-UJKGMGNHSA-N
Molecular Weight 229.239 g/mol
SMILES O[13C](c1ccc(OCc2ccccc2)cc1)=O
SPLASH splash10-0006-9000000000-254136c3772fbe78a05e
Source of Spectrum KC-60-1891-15
Wiley ID 1583566