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2,3-Dihydro-2-phenyl-5-propionyl-1,5-benzothiazepine-4(5H)-one
SpectraBase Compound ID 4XSIKVgobJ9
InChI InChI=1S/C18H17NO2S/c1-2-17(20)19-14-10-6-7-11-15(14)22-16(12-18(19)21)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChIKey BAHVJWHAQCLNEW-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiJkgQ8ykgG
Name 2,3-Dihydro-2-phenyl-5-propionyl-1,5-benzothiazepine-4(5H)-one
CAS Registry Number 109532-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c1-2-17(20)19-14-10-6-7-11-15(14)22-16(12-18(19)21)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChIKey BAHVJWHAQCLNEW-UHFFFAOYSA-N
Molecular Weight 311.399 g/mol
SMILES C1(N(c2c(SC(C1)c1ccccc1)cccc2)C(=O)CC)=O
SPLASH splash10-0ue9-0912000000-fd105b57899f73e483d8
Source of Spectrum K-120-1743-2
Synonyms 2-Phenyl-5-propionyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 5-(1-oxopropyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one 2-Phenyl-5-propanoyl-2,3-dihydro-1,5-benzothiazepin-4-one
Wiley ID 1312453