| SpectraBase Spectrum ID |
KrhqFsgNVWP |
| Name |
1.beta.,(4A).beta.-Dimethyl-7-(1-carbomethoxy-1-methyl)-(8A).beta.-octahydronaphthalen-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.188194694 u |
| Formula |
C16H26O3 |
| InChI |
InChI=1S/C16H26O3/c1-10(15(18)19-4)12-5-7-16(3)8-6-14(17)11(2)13(16)9-12/h10-13H,5-9H2,1-4H3 |
| InChIKey |
KBKKFVFNAGCAQX-UHFFFAOYSA-N |
| Molecular Weight |
266.381 g/mol |
| SMILES |
C1(C(CCC2(C1CC(CC2)C(C(=O)OC)C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981208 |
