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 |