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N-Benzyl-N-thienoylphenylglycine
SpectraBase Compound ID JffeOcQfXBj
InChI InChI=1S/C20H17NO3S/c22-19(17-12-7-13-25-17)21(14-15-8-3-1-4-9-15)18(20(23)24)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,23,24)/t18-/m0/s1
InChIKey OHYYGYVNNYYKSD-SFHVURJKSA-N
Mol Weight 351.42 g/mol
Molecular Formula C20H17NO3S
Exact Mass 351.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Zj2hb8k9Sa
Name N-Benzyl-N-thienoylphenylglycine
Comments Less than 3 mono-isotopic peaks
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Formula C20H17NO3S
InChI InChI=1S/C20H17NO3S/c22-19(17-12-7-13-25-17)21(14-15-8-3-1-4-9-15)18(20(23)24)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,23,24)/t18-/m0/s1
InChIKey OHYYGYVNNYYKSD-SFHVURJKSA-N
Molecular Weight 351.420 g/mol
SMILES OC([C@@](N(C(c1sccc1)=O)Cc1ccccc1)(c1ccccc1)[H])=O
SPLASH splash10-03di-0900000000-3537f55d58904542f8fe
Source of Spectrum E2-46-753-1
Synonyms (2S)-[benzyl(2-thienylcarbonyl)amino](phenyl)ethanoic acid
Wiley ID 1554376