| SpectraBase Spectrum ID |
1XgOic9oyJi |
| Name |
Bicyclo[2.2.1]heptan-2-one, 5-(acetyloxy)-4,7,7-trimethyl-, endo- |
| 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)15-10-5-8-9(14)6-12(10,4)11(8,2)3/h8,10H,5-6H2,1-4H3/t8-,10+,12-/m1/s1 |
| InChIKey |
LJJDMLPORNJBCT-UBHAPETDSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
[C@@]12(C([C@@](C(C2)=O)(C[C@@]1(OC(=O)C)[H])[H])(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943718 |
![Bicyclo[2.2.1]heptan-2-one, 5-(acetyloxy)-4,7,7-trimethyl-, endo-](/api/spectrum/1XgOic9oyJi/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptan-2-one, 5-(acetyloxy)-4,7,7-trimethyl-, endo-")
