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(phenylmethyl) 2-[(E)-2-phenylsulfanylethenyl]indole-1-carboxylate

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

(phenylmethyl) 2-[(E)-2-phenylsulfanylethenyl]indole-1-carboxylate
SpectraBase Compound ID JDRJCBiP4sv
InChI InChI=1S/C24H19NO2S/c26-24(27-18-19-9-3-1-4-10-19)25-21(17-20-11-7-8-14-23(20)25)15-16-28-22-12-5-2-6-13-22/h1-17H,18H2/b16-15+
InChIKey PDARFDHBARHNDB-FOCLMDBBSA-N
Mol Weight 385.48 g/mol
Molecular Formula C24H19NO2S
Exact Mass 385.11365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rHuUQ0V7dH
Name (Phenylmethyl) 2-[(E)-2-phenylsulfanylethenyl]indole-1-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 385.113650028 u
Formula C24H19NO2S
InChI InChI=1S/C24H19NO2S/c26-24(27-18-19-9-3-1-4-10-19)25-21(17-20-11-7-8-14-23(20)25)15-16-28-22-12-5-2-6-13-22/h1-17H,18H2/b16-15+
InChIKey PDARFDHBARHNDB-FOCLMDBBSA-N
Molecular Weight 385.481 g/mol
SMILES C=1(N(C2=C(C1)C=CC=C2)C(OCC=1C=CC=CC1)=O)\C=C\SC1=CC=CC=C1