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XIJZRXDBTDOULF-UHFFFAOYSA-N

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XIJZRXDBTDOULF-UHFFFAOYSA-N
SpectraBase Compound ID LLsVNEjqS8V
InChI InChI=1S/C15H13NOS/c17-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-9,14H,10H2,(H,16,17)/t14-/m1/s1
InChIKey XIJZRXDBTDOULF-UHFFFAOYSA-N
Mol Weight 255.33 g/mol
Molecular Formula C15H13NOS
Exact Mass 255.071785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wnL3XhFFLL
Name 2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on
CAS Registry Number 29476-22-0
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C15H13NOS
InChI InChI=1S/C15H13NOS/c17-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-9,14H,10H2,(H,16,17)
InChIKey XIJZRXDBTDOULF-UHFFFAOYSA-N
Literature Reference Liebigs Ann. Chem. 869 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6