| SpectraBase Spectrum ID |
GS78qpvqa5 |
| Name |
1-(Adamantan-1-yl)-3-(2-methoxyethyl)thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.160934574 u |
| Formula |
C14H24N2OS |
| InChI |
InChI=1S/C14H24N2OS/c1-17-3-2-15-13(18)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H2,15,16,18)/t10-,11+,12-,14- |
| InChIKey |
YHMWNWCXIPRUOA-XDCQQTESSA-N |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])NC(=S)NCCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884276 |
