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2-Phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-5-on
SpectraBase Compound ID HagKr9d7tr1
InChI InChI=1S/C15H13NOS/c17-15-12-8-4-5-9-13(12)18-14(10-16-15)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,16,17)
InChIKey AVCFUYURQJNPDN-UHFFFAOYSA-N
Mol Weight 255.33 g/mol
Molecular Formula C15H13NOS
Exact Mass 255.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bP6z2oFqBm
Name 2-Phenyl-2,3-dihydro-1,4-benzothiazepin-5(4H)-one
Alternate Name(s) 2-Phenyl-3,4-dihydro-1,4-benzothiazepin-5(2H)-one 2-Phenyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one
CAS Registry Number 17785-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NOS
InChI InChI=1S/C15H13NOS/c17-15-12-8-4-5-9-13(12)18-14(10-16-15)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,16,17)
InChIKey AVCFUYURQJNPDN-UHFFFAOYSA-N
Molecular Weight 255.335 g/mol
SMILES N1C(c2c(SC(C1)c1ccccc1)cccc2)=O
SPLASH splash10-004i-1790000000-ecbb36db7a2e94d1d415
Source of Spectrum O-29-303-0
Wiley ID 1258855