| SpectraBase Spectrum ID |
4yfvjCutCXQ |
| Name |
Butanedioic acid, 2,3-diethyl-, dimethyl ester, (R*,R*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.120509056 u |
| Formula |
C10H18O4 |
| InChI |
InChI=1S/C10H18O4/c1-5-7(9(11)13-3)8(6-2)10(12)14-4/h7-8H,5-6H2,1-4H3 |
| InChIKey |
PJYLXJOUZLIGJT-UHFFFAOYSA-N |
| Molecular Weight |
202.250 g/mol |
| SMILES |
C(=O)(C(CC)C(C(=O)OC)CC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90322 |
