2-[2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-yl]phenol

SpectraBase Compound ID	BtPBRQi6ft1
InChI	InChI=1S/C22H21NO2S/c1-25-16-12-10-15(11-13-16)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)26-22/h2-13,19,22-24H,14H2,1H3
InChIKey	DQRMXGLHIFQVSF-UHFFFAOYSA-N Google Search
Mol Weight	363.48 g/mol
Molecular Formula	C22H21NO2S
Exact Mass	363.1293 g/mol

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SpectraBase Spectrum ID	DaPYwxOHOUc
Name	2-[2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-yl]phenol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H21NO2S
InChI	InChI=1S/C22H21NO2S/c1-25-16-12-10-15(11-13-16)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)26-22/h2-13,19,22-24H,14H2,1H3
InChIKey	DQRMXGLHIFQVSF-UHFFFAOYSA-N
Literature Reference DOI	10.1002/cbdv.200590029
Molecular Weight	363.475 g/mol
SMILES	N1c2c(SC(CC1c1c(cccc1)O)c1ccc(cc1)OC)cccc2
SPLASH	splash10-002r-0892000000-2449385fcd47f0c46612
Source of Spectrum	CBD-2-494-40b
Synonyms	2-(2-(4-methoxyphenyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-4-yl)phenol
Wiley ID	1790197