| SpectraBase Spectrum ID |
DvpnrOrmihC |
| Name |
8,10-Dioxabicyclo[5.2.1]dec-3-ene-7-acetic acid, ethyl ester, (1S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-2-14-11(13)8-12-7-5-3-4-6-10(16-12)9-15-12/h3-4,10H,2,5-9H2,1H3/b4-3-/t10-,12?/m0/s1 |
| InChIKey |
PTHNBCGWBAUXPN-CHDXLFJUSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C12(CC(=O)OCC)O[C@](C\C=C/CC2)([H])CO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907259 |
![8,10-Dioxabicyclo[5.2.1]dec-3-ene-7-acetic acid, ethyl ester, (1S)-](/api/spectrum/DvpnrOrmihC/structure.png?h=300&w=458 "8,10-Dioxabicyclo[5.2.1]dec-3-ene-7-acetic acid, ethyl ester, (1S)-")
