| SpectraBase Spectrum ID |
5yRMvSGwqEv |
| Name |
1,3-bis(3,4-Dimethoxyphenethyl)-2-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.176978560 u |
| Formula |
C21H28N2O4S |
| InChI |
InChI=1S/C21H28N2O4S/c1-24-17-7-5-15(13-19(17)26-3)9-11-22-21(28)23-12-10-16-6-8-18(25-2)20(14-16)27-4/h5-8,13-14H,9-12H2,1-4H3,(H2,22,23,28) |
| InChIKey |
MBJXWDYDOGMUJI-UHFFFAOYSA-N |
| Molecular Weight |
404.525 g/mol |
| SMILES |
N(CCC1=CC(=C(C=C1)OC)OC)C(=S)NCCC=1C=C(C(=CC1)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.989437 |
