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2-[2-(4-chlorophenyl)-2,3-Dihydro-1,5-benzothiazepin-4-yl]phenol
SpectraBase Compound ID JtRXyCWZqFB
InChI InChI=1S/C21H16ClNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,21,24H,13H2
InChIKey BBINGBZMFOMNKD-UHFFFAOYSA-N
Mol Weight 365.88 g/mol
Molecular Formula C21H16ClNOS
Exact Mass 365.064113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lq73glNUMJ
Name 2-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
Alternate Name(s) 2-(2-(4-chlorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClNOS
InChI InChI=1S/C21H16ClNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,21,24H,13H2
InChIKey BBINGBZMFOMNKD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1905
Molecular Weight 365.878 g/mol
SMILES Oc1ccccc1C1=Nc2c(SC(C1)c1ccc(cc1)Cl)cccc2
SPLASH splash10-004i-0192000000-f2fd0fb145ab1e38dd6f
Source of Spectrum RCM-19-1201-8
Wiley ID 1820297