| SpectraBase Spectrum ID |
JlRhmsoMQMi |
| Name |
Anti-tert-butylbicyclo[2.2.1]heptane-2,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-10(2,3)11-5-4-7(6-11)8(12)9(11)13/h7H,4-6H2,1-3H3 |
| InChIKey |
IMHAXYBMJLTURO-UHFFFAOYSA-N |
| Molecular Weight |
180.247 g/mol |
| SMILES |
C12(C(C(=O)C(C2)CC1)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926451 |
![Anti-tert-butylbicyclo[2.2.1]heptane-2,3-dione](/api/spectrum/JlRhmsoMQMi/structure.png?h=300&w=458 "Anti-tert-butylbicyclo[2.2.1]heptane-2,3-dione")
