| SpectraBase Spectrum ID |
JEuTJUpcQjo |
| Name |
2C-T-27 4-toluoyl |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
421.171164904 u |
| Formula |
C25H27NO3S |
| InChI |
InChI=1S/C25H27NO3S/c1-18-9-11-20(12-10-18)25(27)26-14-13-21-15-23(29-3)24(16-22(21)28-2)30-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27) |
| InChIKey |
YAPGHGOURNPVPP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
421.555 g/mol |
| Nominal Mass |
421 u |
| Quality |
953 |
| Retention Index |
3154 |
| SMILES |
C1(=C(C=C(C(=C1)OC)SCC1=CC=CC=C1)OC)CCNC(C1=CC=C(C=C1)C)=O |
| SPLASH |
splash10-007c-7490500000-74a6bb7ec7c0b72798d4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(2-[4-(Benzylsulfanyl)-2,5-dimethoxyphenyl]ethyl)-4-methylbenzamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025041 |
