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

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2-(3,4-(Methylendioxy)-phenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on
SpectraBase Compound ID 48BbT3Kta01
InChI InChI=1S/C16H13NO3S/c18-16-8-15(21-14-4-2-1-3-11(14)17-16)10-5-6-12-13(7-10)20-9-19-12/h1-7,15H,8-9H2,(H,17,18)
InChIKey JPGPQAPXBUHYFF-UHFFFAOYSA-N
Mol Weight 299.34 g/mol
Molecular Formula C16H13NO3S
Exact Mass 299.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaCmDoVsv8p
Name 2-(3,4-(Methylendioxy)-phenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on
CAS Registry Number 97038-00-1
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H13NO3S
InChI InChI=1S/C16H13NO3S/c18-16-8-15(21-14-4-2-1-3-11(14)17-16)10-5-6-12-13(7-10)20-9-19-12/h1-7,15H,8-9H2,(H,17,18)
InChIKey JPGPQAPXBUHYFF-UHFFFAOYSA-N
Literature Reference Liebigs Ann. Chem. 869 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6