| SpectraBase Spectrum ID |
9tvH7F0vfQO |
| Name |
Octahydro-spiro[cycloocta[C]thiophene-1,2'-tricyclo[3.3.1.1(3,7)]decane] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.191172076 u |
| Formula |
C19H28S |
| InChI |
InChI=1S/C19H28S/c1-2-4-6-18-15(5-3-1)12-20-19(18)16-8-13-7-14(10-16)11-17(19)9-13/h13-14,16-17H,1-12H2/t13-,14+,16-,17+,19? |
| InChIKey |
YBYARYHPLVDWEQ-TXFLSZFTSA-N |
| SMILES |
C12(C3=C(CCCCCC3)CS1)[C@]1(C[C@]3(C[C@@]2(C[C@@](C1)(C3)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839194 |
![Octahydro-spiro[cycloocta[c]thiophene-1,2'-tricyclo[3.3.1.1(3,7)]decane]](/api/spectrum/9tvH7F0vfQO/structure.png?h=300&w=458 "Octahydro-spiro[cycloocta[c]thiophene-1,2'-tricyclo[3.3.1.1(3,7)]decane]")
