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

View entire compound with spectra: 3 MS (GC)

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 2F5RFCBZlxT
Name 2-[2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-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/rcm.1905
Molecular Weight 363.475 g/mol
SMILES N1C(c2ccccc2O)CC(Sc2c1cccc2)c1ccc(cc1)OC
SPLASH splash10-000i-0973000000-aa5ed1da912e6de85db3
Source of Spectrum RCM-19-1204-20
Synonyms 2-(2-(4-methoxyphenyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-4-yl)phenol
Wiley ID 1820290