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1-Acetyl-3-(1,3-diacetylbenzimidazolin-2-yl)-2-oxindole
SpectraBase Compound ID JqcYtBasnWn
InChI InChI=1S/C21H19N3O4/c1-12(25)22-17-10-6-7-11-18(17)23(13(2)26)20(22)19-15-8-4-5-9-16(15)24(14(3)27)21(19)28/h4-11,19-20H,1-3H3
InChIKey BPMHPAXYNJMSED-UHFFFAOYSA-N
Mol Weight 377.4 g/mol
Molecular Formula C21H19N3O4
Exact Mass 377.137556 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8TPTQlTRBIW
Name 1-Acetyl-3-(1,3-diacetylbenzimidazolin-2-yl)-2-oxindole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.137556100 u
Formula C21H19N3O4
InChI InChI=1S/C21H19N3O4/c1-12(25)22-17-10-6-7-11-18(17)23(13(2)26)20(22)19-15-8-4-5-9-16(15)24(14(3)27)21(19)28/h4-11,19-20H,1-3H3
InChIKey BPMHPAXYNJMSED-UHFFFAOYSA-N
Molecular Weight 377.400 g/mol
SMILES C1(N(C2=C(N1C(=O)C)C=CC=C2)C(=O)C)C1C(N(C(=O)C)C=2C1=CC=CC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850143