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2,3-dihydro-1,5-benzothiazepin-4(5H)-one

View entire compound with spectra: 3 NMR, 1 FTIR, and 3 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2NV9FBasNc
Name 2,3-Dihydrobenzo[b][1,4]thiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 DOI 10.1002/adsc.201801673
Molecular Weight 179.237 g/mol
SMILES N1C(CCSc2c1cccc2)=O
SPLASH splash10-0a6r-8900000000-38fe6a764b20ac52e2a3
Source of Spectrum ASC-361-SM118-14
Wiley ID 1819228