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5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID 3MKa7D2pbNL
InChI InChI=1S/C18H17ClN2O2/c19-11-10-18(23)21-15-9-5-4-8-14(15)20-17(22)12-16(21)13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,22)
InChIKey VAXKOWJBFYUAFB-UHFFFAOYSA-N
Mol Weight 328.8 g/mol
Molecular Formula C18H17ClN2O2
Exact Mass 328.097855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 275eXZDo0lu
Name 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CAS Registry Number 73416-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN2O2
InChI InChI=1S/C18H17ClN2O2/c19-11-10-18(23)21-15-9-5-4-8-14(15)20-17(22)12-16(21)13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,22)
InChIKey VAXKOWJBFYUAFB-UHFFFAOYSA-N
Molecular Weight 328.799 g/mol
SMILES N1C(CC(N(c2c1cccc2)C(CCCl)=O)c1ccccc1)=O
SPLASH splash10-00si-6941000000-9b65b02e974886ce68c5
Source of Spectrum AD-0-2532-0
Synonyms 1H-Benzo[b]1,4-diazepin-2(3H)-one, 4,5-dihydro-5-(3-chloropropanoyl)-4-phenyl- 5-(3-Chloranylpropanoyl)-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one 5-(3-Chloro-1-oxopropyl)-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one 5-(3-Chloropropanoyl)-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Wiley ID 1431002