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TRANS-2-(4''-CHLOROPHENYL)-4-(2'-HYDROXYPHENYL)-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPINE
SpectraBase Compound ID 9I8SjEGZb1F
InChI InChI=1S/C21H18ClNOS/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/t18-,21-/m0/s1
InChIKey ZSZZTHHVSXVNEW-RXVVDRJESA-N
Mol Weight 367.89 g/mol
Molecular Formula C21H18ClNOS
Exact Mass 367.079763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxQVOBgQrW
Name TRANS-2-(4''-CHLOROPHENYL)-4-(2'-HYDROXYPHENYL)-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPINE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClNOS
InChI InChI=1S/C21H18ClNOS/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/t18-,21-/m0/s1
InChIKey ZSZZTHHVSXVNEW-RXVVDRJESA-N
Literature Reference Author R.AHMAD,M.ZIA-UL-HAQ,S.HAMEED,H.AKHTAR,H.DUDDECK
Literature Reference Citation MH.CHEM.,131,393(2000)
Literature Reference DOI 10.1007/s007060050320
Molecular Weight 367.893 g/mol
Solvent CDCl3
Source File Reference UWRU1283