| SpectraBase Spectrum ID |
EtQAiEDaMHE |
| Name |
2-[(Methoxycarbonyl)methyl]BICYCLO3.3.1]nona-6-ene-8-one isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-15-12(14)7-9-4-2-8-3-5-11(13)10(9)6-8/h3,5,8-10H,2,4,6-7H2,1H3/t8?,9-,10?/m1/s1 |
| InChIKey |
BFAWXODAEDZZPC-HWOCKDDLSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C12C(C=CC(C2)CC[C@@]1(CC(=O)OC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88965 |
![2-[(Methoxycarbonyl)methyl]bicyclo3.3.1]nona-6-ene-8-one isomer](/api/spectrum/EtQAiEDaMHE/structure.png?h=300&w=458 "2-[(Methoxycarbonyl)methyl]bicyclo3.3.1]nona-6-ene-8-one isomer")
