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2-[N,N-Diethyl-1'-carbamoyl-1'-(3'''-methoxyphenyl)methylidene]-7-methyl-3-(2''-tolyl)imino-1H-indole
SpectraBase Compound ID 9riXuHEyea4
InChI InChI=1S/C29H31N3O2/c1-6-32(7-2)29(33)25(21-14-11-15-22(18-21)34-5)28-27(30-24-17-9-8-12-19(24)3)23-16-10-13-20(4)26(23)31-28/h8-18,31H,6-7H2,1-5H3/b28-25+,30-27+
InChIKey WPAXSIBUVINUNU-WGSDILPMSA-N
Mol Weight 453.59 g/mol
Molecular Formula C29H31N3O2
Exact Mass 453.241627 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KV3Ljdui0tD
Name 2-[N,N-Diethyl-1'-carbamoyl-1'-(3'''-methoxyphenyl)methylidene]-7-methyl-3-(2''-tolyl)imino-1H-indole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.241627248 u
Formula C29H31N3O2
InChI InChI=1S/C29H31N3O2/c1-6-32(7-2)29(33)25(21-14-11-15-22(18-21)34-5)28-27(30-24-17-9-8-12-19(24)3)23-16-10-13-20(4)26(23)31-28/h8-18,31H,6-7H2,1-5H3/b28-25+,30-27+
InChIKey WPAXSIBUVINUNU-WGSDILPMSA-N
Molecular Weight 453.586 g/mol
SMILES C(\C(=C/1\C(=N\C=2C(C)=CC=CC2)C=2C=CC=C(C2N1)C)C=1C=C(OC)C=CC1)(N(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925296