| SpectraBase Spectrum ID |
KyWhvKFZovX |
| Name |
3-Formyl-1-[2-[N'-(4-formylphenyl)-N'-methylaminomethyl]-4-methylphenyl]tetrahydro-1H-azepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.199428083 u |
| Formula |
C23H26N2O2 |
| InChI |
InChI=1S/C23H26N2O2/c1-18-6-11-23(25-12-4-3-5-20(14-25)17-27)21(13-18)15-24(2)22-9-7-19(16-26)8-10-22/h6-11,13-14,16-17H,3-5,12,15H2,1-2H3 |
| InChIKey |
QPXNOQLHMKHGIB-UHFFFAOYSA-N |
| Molecular Weight |
362.473 g/mol |
| SMILES |
C=1(N2C=C(C=O)CCCC2)C(CN(C=2C=CC(C=O)=CC2)C)=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897121 |
![3-Formyl-1-[2-[N'-(4-formylphenyl)-N'-methylaminomethyl]-4-methylphenyl]tetrahydro-1H-azepine](/api/spectrum/KyWhvKFZovX/structure.png?h=300&w=458 "3-Formyl-1-[2-[N'-(4-formylphenyl)-N'-methylaminomethyl]-4-methylphenyl]tetrahydro-1H-azepine")
