| SpectraBase Spectrum ID |
Gbu5eiaMuL |
| Name |
Bicyclo[3.1.1]heptan-2-one, 3-(acetyloxy)-3,6,6-trimethyl-, (1.alpha.,3.beta.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-7(13)15-12(4)6-8-5-9(10(12)14)11(8,2)3/h8-9H,5-6H2,1-4H3/t8-,9+,12-/m1/s1 |
| InChIKey |
PQDDEQDJPKEPBV-VDDIYKPWSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
[C@@]12(C([C@@](OC(=O)C)(C)C[C@](C2)([H])C1(C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963455 |
![Bicyclo[3.1.1]heptan-2-one, 3-(acetyloxy)-3,6,6-trimethyl-, (1.alpha.,3.beta.,5.alpha.)-](/api/spectrum/Gbu5eiaMuL/structure.png?h=300&w=458 "Bicyclo[3.1.1]heptan-2-one, 3-(acetyloxy)-3,6,6-trimethyl-, (1.alpha.,3.beta.,5.alpha.)-")
