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2-(1,3-benzodioxol-5-yl)-2,3-Dihydro-4-phenyl-1,5-benzothiazepine
SpectraBase Compound ID BrXJ2Vf1XPM
InChI InChI=1S/C22H17NO2S/c1-2-6-15(7-3-1)18-13-22(26-21-9-5-4-8-17(21)23-18)16-10-11-19-20(12-16)25-14-24-19/h1-12,22H,13-14H2
InChIKey GXFKHXXAXYNQBJ-UHFFFAOYSA-N
Mol Weight 359.44 g/mol
Molecular Formula C22H17NO2S
Exact Mass 359.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDnM0TzpRyD
Name 2-(1,3-benzodioxol-5-yl)-2,3-Dihydro-4-phenyl-1,5-benzothiazepine
Alternate Name(s) 2-(benzo[d][1,3]dioxol-5-yl)-4-phenyl-2,3-dihydrobenzo[b][1,4]thiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NO2S
InChI InChI=1S/C22H17NO2S/c1-2-6-15(7-3-1)18-13-22(26-21-9-5-4-8-17(21)23-18)16-10-11-19-20(12-16)25-14-24-19/h1-12,22H,13-14H2
InChIKey GXFKHXXAXYNQBJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200590029
Molecular Weight 359.443 g/mol
SMILES C1(Sc2c(N=C(C1)c1ccccc1)cccc2)c1cc2OCOc2cc1
SPLASH splash10-116r-5940000000-9209d948d006b7577e31
Source of Spectrum CBD-2-493-32
Wiley ID 1790185