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1,1,8-trichloro-5-(cyclopropylmethyl)-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one
SpectraBase Compound ID MQpvHhn6LD
InChI InChI=1S/C20H17Cl3N2O/c21-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)20(22,23)25(19)12-18(26)24(17)11-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
InChIKey GDBRNGAUUMNIRB-UHFFFAOYSA-N
Mol Weight 407.73 g/mol
Molecular Formula C20H17Cl3N2O
Exact Mass 406.040646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Y4gC8NPX7G
Name 1,1,8-trichloro-5-(cyclopropylmethyl)-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one
Alternate Name(s) 1,1,8-tris(chloranyl)-5-(cyclopropylmethyl)-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17Cl3N2O
InChI InChI=1S/C20H17Cl3N2O/c21-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)20(22,23)25(19)12-18(26)24(17)11-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
InChIKey GDBRNGAUUMNIRB-UHFFFAOYSA-N
Molecular Weight 407.728 g/mol
SMILES C12(C(Cl)(Cl)N2CC(=O)N(c2c1cc(cc2)Cl)CC1CC1)c1ccccc1
SPLASH splash10-00di-0029000000-e5ef28d73bf7f623700f
Source of Spectrum H1-36-698-2
Wiley ID 755250