| SpectraBase Spectrum ID |
5X8DyKPB2W0 |
| Name |
3-MT-4-MA N,N-bis-(4-toluoyl) |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
447.186814969 u |
| Formula |
C27H29NO3S |
| InChI |
InChI=1S/C27H29NO3S/c1-18-6-11-22(12-7-18)26(29)28(27(30)23-13-8-19(2)9-14-23)20(3)16-21-10-15-24(31-4)25(17-21)32-5/h6-15,17,20H,16H2,1-5H3 |
| InChIKey |
YBWSMIUNUAWWFG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
447.593 g/mol |
| Nominal Mass |
447 u |
| Quality |
995 |
| Retention Index |
3239 |
| SMILES |
C(N(C(C=1C=CC(=CC1)C)=O)C(CC=1C=C(C(=CC1)OC)SC)C)(C1=CC=C(C=C1)C)=O |
| SPLASH |
splash10-00kf-1900000000-396fa0b512c8c8d990b8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(4-Methylbenzoyl)-N-(1-[4-methoxy-3-methylthiophenyl]propan-2-yl)-4-methylbenzamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025053 |
