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2-(3,4,5-Trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on

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2-(3,4,5-Trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on
SpectraBase Compound ID GsPzUZwTrqO
InChI InChI=1S/C18H19NO4S/c1-21-13-8-11(9-14(22-2)18(13)23-3)16-10-17(20)19-12-6-4-5-7-15(12)24-16/h4-9,16H,10H2,1-3H3,(H,19,20)
InChIKey KYEZPKHKPRZCNL-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6to9By644J1
Name 2-(3,4,5-Trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on
CAS Registry Number 89813-62-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c1-21-13-8-11(9-14(22-2)18(13)23-3)16-10-17(20)19-12-6-4-5-7-15(12)24-16/h4-9,16H,10H2,1-3H3,(H,19,20)
InChIKey KYEZPKHKPRZCNL-UHFFFAOYSA-N
Literature Reference Liebigs Ann. Chem. 869 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6