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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
Mol Weight 363.48 g/mol
Molecular Formula C22H21NO2S
Exact Mass 363.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ycxli2HHRm
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-0593000000-ab8f6aa5e688337da53e
Source of Spectrum CBD-2-494-40a
Synonyms 2-(2-(4-methoxyphenyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-4-yl)phenol
Wiley ID 1790196