| SpectraBase Spectrum ID |
GK8TyGSteSH |
| Name |
2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-carboxamide, 3,5,7-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.960069912 u |
| Formula |
C9H13NOS5 |
| InChI |
InChI=1S/C9H13NOS5/c1-6-4-7(2)13-8(3,12-6)16-9(14-6,15-7)5(10)11/h4H2,1-3H3,(H2,10,11)/t6-,7+,8-,9+ |
| InChIKey |
NCBWJPFYAMMSSE-SPJNRGJMSA-N |
| Molecular Weight |
311.509 g/mol |
| SMILES |
[C@]12(S[C@]3(C[C@@](S2)(S[C@@](S3)(S1)C(N)=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812876 |
![2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-carboxamide, 3,5,7-trimethyl-](/api/spectrum/GK8TyGSteSH/structure.png?h=300&w=458 "2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-carboxamide, 3,5,7-trimethyl-")
