| SpectraBase Spectrum ID |
F22orFIEVRU |
| Name |
Adamantane-1-carbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.108170725 u |
| Formula |
C11H17NS |
| InChI |
InChI=1S/C11H17NS/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)/t7-,8+,9-,11- |
| InChIKey |
ONLDDZWBSCSPTI-KJZNFTALSA-N |
| Molecular Weight |
195.324 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C(N)=S)C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958779 |
