| SpectraBase Spectrum ID |
ITbsWuOfOEP |
| Name |
N-[1'-(4R)-(4""""-Isopropyl-1""""-methylcyclohexenyl]-N'-2-[4-(N)-methylpiperazyl]-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.208219120 u |
| Formula |
C16H29N3S |
| InChI |
InChI=1S/C16H29N3S/c1-13-5-7-14(8-6-13)16(2,3)17-15(20)19-11-9-18(4)10-12-19/h5,14H,6-12H2,1-4H3,(H,17,20) |
| InChIKey |
GHHGZNVWLMZGOO-UHFFFAOYSA-N |
| Molecular Weight |
295.489 g/mol |
| SMILES |
C(N1CCN(CC1)C)(NC(C1CC=C(CC1)C)(C)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806461 |
![N-[1'-(4R)-(4"-Isopropyl-1"-methylcyclohexenyl]-N'-2-[4-(N)-methylpiperazyl]-thiourea](/api/spectrum/ITbsWuOfOEP/structure.png?h=300&w=458 "N-[1'-(4R)-(4\"-Isopropyl-1\"-methylcyclohexenyl]-N'-2-[4-(N)-methylpiperazyl]-thiourea")
