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(RS)-3-Benzyloxy-4-cyanobutanoic acid
SpectraBase Compound ID GQbVy9cpRP1
InChI InChI=1S/C12H13NO3/c13-7-6-11(8-12(14)15)16-9-10-4-2-1-3-5-10/h1-5,11H,6,8-9H2,(H,14,15)
InChIKey YUZGQKLVFMFIIU-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CGMYjADRvL
Name (RS)-3-Benzyloxy-4-cyanobutanoic acid
Alternate Name(s) 3-Benzyloxy-4-cyano-butyric acid 4-cyano-3-phenylmethoxybutanoic acid 3-Benzyloxy-4-cyano-butanoic acid 4-cyano-3-phenylmethoxy-butanoic acid
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c13-7-6-11(8-12(14)15)16-9-10-4-2-1-3-5-10/h1-5,11H,6,8-9H2,(H,14,15)
InChIKey YUZGQKLVFMFIIU-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES OC(CC(OCc1ccccc1)CC#N)=O
SPLASH splash10-0a4l-8900000000-24ea46bcee461a333e43
Source of Spectrum G2-2-454-25
Wiley ID 1661497