| SpectraBase Spectrum ID |
5jO2f85PMWN |
| Name |
1-(1-Benzylcyclopropyl)-3-(m-fluorophenyl)-2-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.109647892 u |
| Formula |
C17H17FN2S |
| InChI |
InChI=1S/C17H17FN2S/c18-14-7-4-8-15(11-14)19-16(21)20-17(9-10-17)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,19,20,21) |
| InChIKey |
NGMUFXJHXQIEMR-UHFFFAOYSA-N |
| Molecular Weight |
300.395 g/mol |
| SMILES |
N(C1=CC=CC(=C1)F)C(NC1(CC1)CC=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.941502 |
