| SpectraBase Spectrum ID |
EdWQRRJIJF3 |
| Name |
2-Ethoxyethyl methyl phthalate |
| 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/c1-3-17-8-9-18-13(15)11-7-5-4-6-10(11)12(14)16-2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey |
MKOHYHMTTKVINI-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C1=CC=CC(=C1C(=O)OCCOCC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860631 |
