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2,3-dihydro-1,5-benzothiazepin-4(5H)-one
SpectraBase Compound ID KKNiC9vMiSe
InChI InChI=1S/C9H9NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11)
InChIKey VNUDPFLTWOKTKQ-UHFFFAOYSA-N
Mol Weight 179.24 g/mol
Molecular Formula C9H9NOS
Exact Mass 179.040485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jGOa6pT4nf
Name 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-on
CAS Registry Number 53454-43-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9NOS
InChI InChI=1S/C9H9NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11)
InChIKey VNUDPFLTWOKTKQ-UHFFFAOYSA-N
Literature Reference Liebigs Ann. Chem. 869 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6