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1H-Pyrido[3,2,1-kl]phenothiazin-3-ol, 2,3-dihydro-2-(phenylthio)-, trans-
SpectraBase Compound ID 5bCsZd3sKpN
InChI InChI=1S/C21H17NOS2/c23-21-15-9-6-12-18-20(15)22(16-10-4-5-11-17(16)25-18)13-19(21)24-14-7-2-1-3-8-14/h1-12,19,21,23H,13H2/t19-,21-/m0/s1
InChIKey YRAWKMOMTKDSAB-FPOVZHCZSA-N
Mol Weight 363.49 g/mol
Molecular Formula C21H17NOS2
Exact Mass 363.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0iU6TweDVA
Name 1H-Pyrido[3,2,1-kl]phenothiazin-3-ol, 2,3-dihydro-2-(phenylthio)-, trans-
Alternate Name(s) (2S,3S)-2-(phenylsulfanyl)-2,3-dihydro-1H-pyrido[3,2,1-kl]phenothiazin-3-ol 1,2-Dihydro-2-thiophenyl-3-hydroxy-3H-pyrido[3,2,1-kl]phenothiazine
CAS Registry Number 83319-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NOS2
InChI InChI=1S/C21H17NOS2/c23-21-15-9-6-12-18-20(15)22(16-10-4-5-11-17(16)25-18)13-19(21)24-14-7-2-1-3-8-14/h1-12,19,21,23H,13H2/t19-,21-/m0/s1
InChIKey YRAWKMOMTKDSAB-FPOVZHCZSA-N
Molecular Weight 363.493 g/mol
SMILES O[C@@]1([C@](CN2c3c1cccc3Sc1c2cccc1)(Sc1ccccc1)[H])[H]
SPLASH splash10-01ox-2392000000-cda092cf38011aa77301
Source of Spectrum Y-19-856-0
Wiley ID 1350267