| SpectraBase Spectrum ID |
585VEXWxvHH |
| Name |
1-(p-Cumenyl)-3-cyclododecyl-2-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.259920341 u |
| Formula |
C22H36N2S |
| InChI |
InChI=1S/C22H36N2S/c1-18(2)19-14-16-21(17-15-19)24-22(25)23-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-18,20H,3-13H2,1-2H3,(H2,23,24,25) |
| InChIKey |
KBBNDFDSZWZKQC-UHFFFAOYSA-N |
| Molecular Weight |
360.604 g/mol |
| SMILES |
N(C1=CC=C(C=C1)C(C)C)C(NC1CCCCCCCCCCC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.977668 |
