| SpectraBase Spectrum ID |
8GCVbO0L6Nc |
| Name |
2-Ethyl 1-methyl 4-ethyl-3-hydroxyphthalate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-4-8-6-7-9(12(15)17-3)10(11(8)14)13(16)18-5-2/h6-7,14H,4-5H2,1-3H3 |
| InChIKey |
BIDWDPUDCRVFFV-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C=1(C(C(=O)OC)=CC=C(C1O)CC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852822 |
