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2-[2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl]phenol
SpectraBase Compound ID FiGyqowSQxb
InChI InChI=1S/C21H18FNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,18,21,23-24H,13H2
InChIKey QDYZYVYQIFIQPE-UHFFFAOYSA-N
Mol Weight 351.44 g/mol
Molecular Formula C21H18FNOS
Exact Mass 351.109314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HRbvG66ldd
Name 2-[2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl]phenol
Alternate Name(s) 2-(2-(4-fluorophenyl)-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-4-yl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18FNOS
InChI InChI=1S/C21H18FNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,18,21,23-24H,13H2
InChIKey QDYZYVYQIFIQPE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1905
Molecular Weight 351.439 g/mol
SMILES N1C(c2ccccc2O)CC(Sc2c1cccc2)c1ccc(cc1)F
SPLASH splash10-0fbi-0879000000-e335242612835d563f40
Source of Spectrum RCM-19-1204-17
Wiley ID 1820287