| SpectraBase Spectrum ID |
LAZCA8Us720 |
| Name |
N,N-bis-Benzyl-3-(2,3-methylenedioxyphenyl)pentan-2-amine I |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.219829176 u |
| Formula |
C26H29NO2 |
| InChI |
InChI=1S/C26H29NO2/c1-3-23(24-15-10-16-25-26(24)29-19-28-25)20(2)27(17-21-11-6-4-7-12-21)18-22-13-8-5-9-14-22/h4-16,20,23H,3,17-19H2,1-2H3 |
| InChIKey |
JBVIGCHNVUMWAK-UHFFFAOYSA-N |
| Molecular Weight |
387.523 g/mol |
| SMILES |
C=1(C2=C(C=CC1)OCO2)C(C(N(CC=1C=CC=CC1)CC1=CC=CC=C1)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841144 |
