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Ethyl-8-acetyleno-6-(2'-thienyl)-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
SpectraBase Compound ID 7j6nYlJo7xw
InChI InChI=1S/C20H15N3O2S/c1-3-13-7-8-15-14(10-13)18(17-6-5-9-26-17)21-11-16-19(20(24)25-4-2)22-12-23(15)16/h1,5-10,12H,4,11H2,2H3
InChIKey RNSJNSIOGVLMON-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C20H15N3O2S
Exact Mass 361.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoWUG46Phsc
Name Ethyl-8-acetyleno-6-(2'-thienyl)-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
Appearance Ivory colored solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N3O2S
InChI InChI=1S/C20H15N3O2S/c1-3-13-7-8-15-14(10-13)18(17-6-5-9-26-17)21-11-16-19(20(24)25-4-2)22-12-23(15)16/h1,5-10,12H,4,11H2,2H3
InChIKey RNSJNSIOGVLMON-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5985B
Ionization Type EI
Literature Reference DOI 10.1021/jm801652d
Molecular Weight 361.419 g/mol
SMILES C(C)OC(=O)c1nc[n]-2c1CN=C(c1c2ccc(c1)C#C)c1cccs1
SPLASH splash10-000i-0494000000-7b096a1d339dfce9aa62
Source of Spectrum AF-52-SM4-1
Wiley ID 1873857