| SpectraBase Spectrum ID |
GPBXxMwEtF0 |
| Name |
Bicyclo[3.1.1]hept-2-en-2-ol, 3,6,6-trimethyl-, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-7-5-9-6-10(12(9,3)4)11(7)14-8(2)13/h9-10H,5-6H2,1-4H3 |
| InChIKey |
CJWHRQNJCKUILO-UHFFFAOYSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
C=1(C2C(C)(C)C(CC1C)C2)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853866 |
![Bicyclo[3.1.1]hept-2-en-2-ol, 3,6,6-trimethyl-, acetate](/api/spectrum/GPBXxMwEtF0/structure.png?h=300&w=458 "Bicyclo[3.1.1]hept-2-en-2-ol, 3,6,6-trimethyl-, acetate")
