| SpectraBase Spectrum ID |
EMKVfmTU0Jy |
| Name |
Dimethyl (2Z)-2-(1-hydroxy-1-methylethyl)-2-butenedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.084123546 u |
| Formula |
C9H14O5 |
| InChI |
InChI=1S/C9H14O5/c1-9(2,12)6(8(11)14-4)5-7(10)13-3/h5,12H,1-4H3/b6-5+ |
| InChIKey |
MJNZHLCMEXSPNF-AATRIKPKSA-N |
| Molecular Weight |
202.206 g/mol |
| SMILES |
C(\C=C/(C(=O)OC)C(O)(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94203 |
