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2-(4-Nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-on
SpectraBase Compound ID JyZJBOhwLdW
InChI InChI=1S/C15H12N2O3S/c18-15-9-14(10-5-7-11(8-6-10)17(19)20)21-13-4-2-1-3-12(13)16-15/h1-8,14H,9H2,(H,16,18)
InChIKey WFOHNGHRODWGLU-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C15H12N2O3S
Exact Mass 300.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yLUIsuUOkD
Name 2-(4-Nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
CAS Registry Number 97037-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N2O3S
InChI InChI=1S/C15H12N2O3S/c18-15-9-14(10-5-7-11(8-6-10)17(19)20)21-13-4-2-1-3-12(13)16-15/h1-8,14H,9H2,(H,16,18)
InChIKey WFOHNGHRODWGLU-UHFFFAOYSA-N
Molecular Weight 300.332 g/mol
SMILES N1c2c(SC(CC1=O)c1ccc(N(=O)=O)cc1)cccc2
SPLASH splash10-0ufr-6900000000-398e08e33c98ddc32c50
Synonyms 2-(4-Nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one 2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Wiley ID 1456470