| SpectraBase Spectrum ID |
C1cWN0T1Ick |
| Name |
Ethanone, 1-(2-(N-propyloxycarbonyl)oxy-5-methoxyphenyl)- |
| 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/c1-4-7-17-13(15)18-12-6-5-10(16-3)8-11(12)9(2)14/h5-6,8H,4,7H2,1-3H3 |
| InChIKey |
DDSMOJHYFQRZJL-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C1(C(=O)C)=C(C=CC(=C1)OC)OC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964266 |
