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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
Mol Weight 347.48 g/mol
Molecular Formula C22H21NOS
Exact Mass 347.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3u7bIHveya
Name 2-[2,3,4,5-tetrahydro-2-(4-methylphenyl)-1,5-benzothiazepin-4-yl]phenol
Alternate Name(s) 2-(2-(p-tolyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-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/cbdv.200590029
Molecular Weight 347.476 g/mol
SMILES N1c2c(SC(CC1c1c(cccc1)O)c1ccc(cc1)C)cccc2
SPLASH splash10-002r-2953000000-354aeb659c849cb40a55
Source of Spectrum CBD-2-494-39b
Wiley ID 1790195