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

SpectraBase Compound ID	1p3rssRg5uh
InChI	InChI=1S/C22H21NOS/c1-15-10-12-16(13-11-15)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)25-22/h2-13,19,22-24H,14H2,1H3
InChIKey	MBPIGDGJVQTGQJ-UHFFFAOYSA-N Google Search
Mol Weight	347.48 g/mol
Molecular Formula	C22H21NOS
Exact Mass	347.134385 g/mol

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SpectraBase Spectrum ID	BsphofMnHyF
Name	2-[2-(p-tolyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl]phenol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H21NOS
InChI	InChI=1S/C22H21NOS/c1-15-10-12-16(13-11-15)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)25-22/h2-13,19,22-24H,14H2,1H3
InChIKey	MBPIGDGJVQTGQJ-UHFFFAOYSA-N
Literature Reference DOI	10.1002/rcm.1905
Molecular Weight	347.476 g/mol
SMILES	N1C(c2ccccc2O)CC(Sc2c1cccc2)c1ccc(cc1)C
SPLASH	splash10-000i-0943000000-f357bcaf0c0607ba7bd9
Source of Spectrum	RCM-19-1204-19
Synonyms	2-(2-(p-tolyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-4-yl)phenol
Wiley ID	1820289