| SpectraBase Spectrum ID |
EKqbasOCVMc |
| Name |
3-Acetyl-,4A,5,6,7,8,8A-hexahydro-1-hydroxy-4A,5-dimethylnaphthalen-2(1H)-one -yl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-8-5-4-6-11-13(17)12(16)10(9(2)15)7-14(8,11)3/h7-8,11,13,17H,4-6H2,1-3H3/t8-,11?,13+,14+/m0/s1 |
| InChIKey |
YWCGAOZHXSFYFT-GXISFRICSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C1(=C[C@@]2([C@](CCCC2[C@](C1=O)(O)[H])(C)[H])C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81053 |
