| SpectraBase Spectrum ID |
HkzXGziIlNj |
| Name |
Ethanone, 1-(2-(ethoxycarbonyl)oxy-5-methoxyphenyl)- |
| 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/c1-4-16-12(14)17-11-6-5-9(15-3)7-10(11)8(2)13/h5-7H,4H2,1-3H3 |
| InChIKey |
BSPQCHZWGKQPQC-UHFFFAOYSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C1(C(=O)C)=C(C=CC(=C1)OC)OC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902483 |
