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(4-benzoyl-7-chloro-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-phenyl-methanone
SpectraBase Compound ID 3rLN9rIIH98
InChI InChI=1S/C25H18ClNO2S/c26-19-11-12-21-22(14-19)30-25-20(24(29)17-9-5-2-6-10-17)13-18(15-27(21)25)23(28)16-7-3-1-4-8-16/h1-12,14,18H,13,15H2
InChIKey IHJPMLRNZIRYBF-UHFFFAOYSA-N
Mol Weight 431.94 g/mol
Molecular Formula C25H18ClNO2S
Exact Mass 431.074678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GwPmHVX0a
Name (4-benzoyl-7-chloro-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-phenyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18ClNO2S
InChI InChI=1S/C25H18ClNO2S/c26-19-11-12-21-22(14-19)30-25-20(24(29)17-9-5-2-6-10-17)13-18(15-27(21)25)23(28)16-7-3-1-4-8-16/h1-12,14,18H,13,15H2
InChIKey IHJPMLRNZIRYBF-UHFFFAOYSA-N
Molecular Weight 431.937 g/mol
SMILES C=12Sc3c(N2CC(CC1C(c1ccccc1)=O)C(c1ccccc1)=O)ccc(c3)Cl
SPLASH splash10-004i-9716200000-ba5e9b0922d689c4652e
Source of Spectrum K-2002-558-3
Synonyms [7-chloranyl-4-(phenylcarbonyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl]-phenyl-methanone
Wiley ID 1580843