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N-Benzyl-N-thienoylphenylglycine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40bLAX5XK0g
Name N-Benzyl-N-thienoylphenylglycine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.092914582 u
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 C(N([C@](C(=O)O)(C=1C=CC=CC1)[H])CC1=CC=CC=C1)(C=1SC=CC1)=O