| SpectraBase Spectrum ID |
7P66jR1ott3 |
| Name |
Methyl p-(2-(methoxycarbonyl)ethoxy)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084123546 u |
| Formula |
C12H14O5 |
| InChI |
InChI=1S/C12H14O5/c1-15-11(13)7-8-17-10-5-3-9(4-6-10)12(14)16-2/h3-6H,7-8H2,1-2H3 |
| InChIKey |
BGBJRURJDDRIRP-UHFFFAOYSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(=O)OC)OCCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960075 |
