| SpectraBase Spectrum ID |
Do9rxqWCzBJ |
| Name |
(+)-(6S,9S)-7-oxy-.gamma.-dihydroionol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-10-7-6-8-15(4,5)14(10)13(17)9-11(2)18-12(3)16/h11,14H,1,6-9H2,2-5H3/t11-,14-/m1/s1 |
| InChIKey |
XSDVAFSLINVYHU-BXUZGUMPSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
C([C@]1(C(=C)CCCC1(C)C)[H])(C[C@](OC(=O)C)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943758 |
