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N-(3-Triphenylmethylthiopropyl)benzanilide

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

N-(3-Triphenylmethylthiopropyl)benzanilide
SpectraBase Compound ID CpD7XfTniBP
InChI InChI=1S/C35H31NOS/c37-34(29-17-6-1-7-18-29)36(33-25-14-5-15-26-33)27-16-28-38-35(30-19-8-2-9-20-30,31-21-10-3-11-22-31)32-23-12-4-13-24-32/h1-15,17-26H,16,27-28H2
InChIKey NKHGDVSNYHQOAJ-UHFFFAOYSA-N
Mol Weight 513.7 g/mol
Molecular Formula C35H31NOS
Exact Mass 513.212636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cOasGh2sb
Name N-(3-Triphenylmethylthiopropyl)benzanilide
Comments Computed using HOSE algorithm
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Exact Mass 513.212635795 u
Formula C35H31NOS
InChI InChI=1S/C35H31NOS/c37-34(29-17-6-1-7-18-29)36(33-25-14-5-15-26-33)27-16-28-38-35(30-19-8-2-9-20-30,31-21-10-3-11-22-31)32-23-12-4-13-24-32/h1-15,17-26H,16,27-28H2
InChIKey NKHGDVSNYHQOAJ-UHFFFAOYSA-N
Molecular Weight 513.699 g/mol
SMILES C(N(C=1C=CC=CC1)CCCSC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)(=O)C1=CC=CC=C1