| SpectraBase Spectrum ID |
KJmamJLPwFv |
| Name |
Spiro[3H-2-benzothiopyran-3,2'-[2H]pyran], dodecahydro-, (3.alpha.,4A.beta.,8A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.139136501 u |
| Formula |
C13H22OS |
| InChI |
InChI=1S/C13H22OS/c1-2-6-12-10-15-13(9-11(12)5-1)7-3-4-8-14-13/h11-12H,1-10H2/t11-,12+,13-/m0/s1 |
| InChIKey |
DROBCNONARKUSD-XQQFMLRXSA-N |
| Molecular Weight |
226.378 g/mol |
| SMILES |
[C@@]12(SC[C@@]3([C@](C2)(CCCC3)[H])[H])OCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905827 |
![Spiro[3H-2-benzothiopyran-3,2'-[2H]pyran], dodecahydro-, (3.alpha.,4a.beta.,8a.alpha.)-](/api/spectrum/KJmamJLPwFv/structure.png?h=300&w=458 "Spiro[3H-2-benzothiopyran-3,2'-[2H]pyran], dodecahydro-, (3.alpha.,4a.beta.,8a.alpha.)-")
