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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XrArPfgKmj
Name 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
Alternate Name(s) 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro- 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one 3,5-Dihydro-2H-1,5-benzothiazepin-4-one
CAS Registry Number 53454-43-6
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
Molecular Weight 179.237 g/mol
SMILES N1c2c(SCCC1=O)cccc2
SPLASH splash10-0a6r-9800000000-ab0dd7ec7857335c4ca5
Source of Spectrum NP-2-9147-0
Wiley ID 1101879