| SpectraBase Spectrum ID |
1PdqFwCeMi |
| Name |
(3aS,9aR)-8-ethynyl-2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16O3 |
| InChI |
InChI=1S/C15H16O3/c1-4-9-5-6-12(16)11-8-14-13(7-10(9)11)17-15(2,3)18-14/h1,5-6,13-14,16H,7-8H2,2-3H3/t13-,14+/m1/s1 |
| InChIKey |
LYFDFCGMWIJFHU-KGLIPLIRSA-N |
| Molecular Weight |
244.290 g/mol |
| SMILES |
Oc1c2c(C[C@]3(OC(C)(C)O[C@]3(C2)[H])[H])c(C#C)cc1 |
| SPLASH |
splash10-00ko-5960000000-580d86a21107b9a0f742 |
| Source of Spectrum |
J-66-7136-15 |
| Wiley ID |
1536106 |
![(3aS,9aR)-8-ethynyl-2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol](/api/spectrum/1PdqFwCeMi/structure.png?h=300&w=458 "(3aS,9aR)-8-ethynyl-2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol")
