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(S)-5-acetyl-7,8-dichloro-4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
SpectraBase Compound ID 9jIS9KBFyhD
InChI InChI=1S/C19H18Cl2N2O4/c1-10(24)23-15(11-4-5-17(26-2)18(6-11)27-3)9-19(25)22-14-7-12(20)13(21)8-16(14)23/h4-8,15H,9H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKey MMSFJQXFFLOYRA-HNNXBMFYSA-N
Mol Weight 409.27 g/mol
Molecular Formula C19H18Cl2N2O4
Exact Mass 408.064362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID irQpVcB1xb
Name (S)-5-acetyl-7,8-dichloro-4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18Cl2N2O4
InChI InChI=1S/C19H18Cl2N2O4/c1-10(24)23-15(11-4-5-17(26-2)18(6-11)27-3)9-19(25)22-14-7-12(20)13(21)8-16(14)23/h4-8,15H,9H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKey MMSFJQXFFLOYRA-HNNXBMFYSA-N
Literature Reference DOI 10.1002/adsc.201000547
Molecular Weight 409.269 g/mol
SMILES N1c2c(N([C@@](CC1=O)(c1cc(c(cc1)OC)OC)[H])C(=O)C)cc(c(c2)Cl)Cl
SPLASH splash10-03di-0900300000-08b94e20cf5467eed7ba
Source of Spectrum ASC-352-2629/SM12-5o
Wiley ID 1764022