| SpectraBase Spectrum ID |
ID9eOjrrWC6 |
| Name |
2-Methyl-N-(4-phenoxyphenyl)-1-piperidinecarbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.145284509 u |
| Formula |
C19H22N2OS |
| InChI |
InChI=1S/C19H22N2OS/c1-15-7-5-6-14-21(15)19(23)20-16-10-12-18(13-11-16)22-17-8-3-2-4-9-17/h2-4,8-13,15H,5-7,14H2,1H3,(H,20,23) |
| InChIKey |
NXRHVBZRNDQLCU-UHFFFAOYSA-N |
| Molecular Weight |
326.458 g/mol |
| SMILES |
C(N1C(C)CCCC1)(NC=1C=CC(OC2=CC=CC=C2)=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906704 |
