| SpectraBase Spectrum ID |
EpSLyQojhOW |
| Name |
3,3-Dimethyl-4-isopropenyl-spiro[thietan-2,9'-xanthen] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.123486437 u |
| Formula |
C20H20OS |
| InChI |
InChI=1S/C20H20OS/c1-13(2)18-19(3,4)20(22-18)14-9-5-7-11-16(14)21-17-12-8-6-10-15(17)20/h5-12,18H,1H2,2-4H3 |
| InChIKey |
UFOSGWLKOUHYBH-UHFFFAOYSA-N |
| SMILES |
C1=CC2=C(C=C1)C1(C3=C(O2)C=CC=C3)C(C(S1)C(=C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969516 |
![3,3-Dimethyl-4-isopropenyl-spiro[thietan-2,9'-xanthen]](/api/spectrum/EpSLyQojhOW/structure.png?h=300&w=458 "3,3-Dimethyl-4-isopropenyl-spiro[thietan-2,9'-xanthen]")
