| SpectraBase Spectrum ID |
5fEd7EANxRA |
| Name |
5-Acetoxy-3-hydroxy-cyclohex-1-enecarboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.084123546 u |
| Formula |
C10H14O5 |
| InChI |
InChI=1S/C10H14O5/c1-6(11)15-9-4-7(10(13)14-2)3-8(12)5-9/h3,8-9,12H,4-5H2,1-2H3/t8-,9-/m0/s1 |
| InChIKey |
RMKJIZPTASJTAJ-IUCAKERBSA-N |
| Molecular Weight |
214.217 g/mol |
| SMILES |
C1(C(=O)OC)=C[C@](O)(C[C@](C1)(OC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945742 |
