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2-[3,4-(Methylenedioxyphenyl]-3-phenylpyrido[3,2-f][1,4]thiazepin
SpectraBase Compound ID FA5HAZolS0c
InChI InChI=1S/C21H14N2O2S/c1-2-5-14(6-3-1)19-20(15-8-9-17-18(11-15)25-13-24-17)26-21-16(12-23-19)7-4-10-22-21/h1-12H,13H2
InChIKey NPHZZAAQEKGJGI-UHFFFAOYSA-N
Mol Weight 358.42 g/mol
Molecular Formula C21H14N2O2S
Exact Mass 358.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3bVjjVlNhZ
Name 2-[3,4-(Methylenedioxyphenyl]-3-phenylpyrido[3,2-f][1,4]thiazepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N2O2S
InChI InChI=1S/C21H14N2O2S/c1-2-5-14(6-3-1)19-20(15-8-9-17-18(11-15)25-13-24-17)26-21-16(12-23-19)7-4-10-22-21/h1-12H,13H2
InChIKey NPHZZAAQEKGJGI-UHFFFAOYSA-N
Molecular Weight 358.415 g/mol
SMILES C=1(Sc2c(cccn2)C=NC1c1ccccc1)c1cc2OCOc2cc1
SPLASH splash10-0a59-0149000000-34a4d7490728b5eca106
Source of Spectrum SO-0-987-16
Synonyms 2-(1,3-benzodioxol-5-yl)-3-phenylpyrido[3,2-f][1,4]thiazepine
Wiley ID 873918