| SpectraBase Spectrum ID |
Hkd84vwGnk0 |
| Name |
3A-Methyl-6-(2-hydroxyprop-2-yl)-3A,4,5,6,7,7A-hexahydroinden-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-12(2,15)9-4-6-13(3)7-5-11(14)10(13)8-9/h5,7,9-10,15H,4,6,8H2,1-3H3/t9-,10-,13+/m1/s1 |
| InChIKey |
MRMXUTYLZPTDOG-BREBYQMCSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C1[C@@](CC[C@@]2([C@]1(C(C=C2)=O)[H])C)(C(C)(C)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927189 |
