| SpectraBase Spectrum ID |
5FdP9maVtbV |
| Name |
9-(1,1-Dimethyl-2-hydroxyethyl)-5-oxo-6,10,10-trimethylbicyclo[4.4.0]deca-1-en-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-15(2,10-18)21-14-6-7-17(5)12(16(14,3)4)8-11(19)9-13(17)20/h8,11,14,18-19H,6-7,9-10H2,1-5H3/t11?,14-,17-/m0/s1 |
| InChIKey |
DROZVEJKFQOXCE-ULQHUPADSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
C1=2[C@@](C(=O)CC(C2)O)(CC[C@@](C1(C)C)(OC(CO)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832967 |
![9-(1,1-Dimethyl-2-hydroxyethyl)-5-oxo-6,10,10-trimethylbicyclo[4.4.0]deca-1-en-3-ol](/api/spectrum/5FdP9maVtbV/structure.png?h=300&w=458 "9-(1,1-Dimethyl-2-hydroxyethyl)-5-oxo-6,10,10-trimethylbicyclo[4.4.0]deca-1-en-3-ol")
