| SpectraBase Spectrum ID |
HYXgLvs7C31 |
| Name |
2C-5-Toet N,N-bis(4-methylbenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.243935924 u |
| Formula |
C28H35NOS |
| InChI |
InChI=1S/C28H35NOS/c1-6-25-17-27(30-4)26(18-28(25)31-5)15-16-29(19-23-11-7-21(2)8-12-23)20-24-13-9-22(3)10-14-24/h7-14,17-18H,6,15-16,19-20H2,1-5H3 |
| InChIKey |
IRKMTSWWKYYLLX-UHFFFAOYSA-N |
| Molecular Weight |
433.654 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)SC)CC)OC)CCN(CC=1C=CC(=CC1)C)CC1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96534 |
