| SpectraBase Spectrum ID |
LERiNhZDkUk |
| Name |
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 6-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.094294308 u |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-9-4-3-6(8(10)11-2)5-7(9)12-9/h6-7H,3-5H2,1-2H3 |
| InChIKey |
GOURYLUXGBHOJH-UHFFFAOYSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C1C(CCC2(C1O2)C)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.953792 |
![7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 6-methyl-, methyl ester](/api/spectrum/LERiNhZDkUk/structure.png?h=300&w=458 "7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 6-methyl-, methyl ester")
