| SpectraBase Spectrum ID |
2Q0V7xYRHAo |
| Name |
2(3H)-Benzofuranone, hexahydro-4,4,7A-trimethyl-; 4,4,7A-trimethylhexahydro-2(3H)-benzofuranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h8H,4-7H2,1-3H3 |
| InChIKey |
IGSYVKHPYSDDQD-UHFFFAOYSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C1(CC2C(CCCC2(C)O1)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.951419 |
