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5-[4-(Methoxyphenyl)amino]-1,3-dioxoimidazo[1,5-c][1,3]benzodiazepine
SpectraBase Compound ID LeWsdXDiNRY
InChI InChI=1S/C18H14N4O3/c1-25-13-8-6-12(7-9-13)19-17-20-14-5-3-2-4-11(14)10-15-16(23)21-18(24)22(15)17/h2-10H,1H3,(H,19,20)(H,21,23,24)
InChIKey HDNGDJDQNOSVTF-UHFFFAOYSA-N
Mol Weight 334.34 g/mol
Molecular Formula C18H14N4O3
Exact Mass 334.10659 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JYQUzgEU1p2
Name 5-[4-(Methoxyphenyl)amino]-1,3-dioxoimidazo[1,5-C][1,3]benzodiazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.106590324 u
Formula C18H14N4O3
InChI InChI=1S/C18H14N4O3/c1-25-13-8-6-12(7-9-13)19-17-20-14-5-3-2-4-11(14)10-15-16(23)21-18(24)22(15)17/h2-10H,1H3,(H,19,20)(H,21,23,24)
InChIKey HDNGDJDQNOSVTF-UHFFFAOYSA-N
Molecular Weight 334.335 g/mol
SMILES C=1(N2C(=CC=3C=CC=CC3N1)C(=O)NC2=O)NC1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945227