SpectraBase Spectrum ID |
8xpWWMtZJ8f |
Name |
Acetoxyacetic acid, 1-naphthyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.073558862 u |
Formula |
C14H12O4 |
InChI |
InChI=1S/C14H12O4/c1-10(15)17-9-14(16)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3 |
InChIKey |
NXKZMCDDKZZDHM-UHFFFAOYSA-N |
Molecular Weight |
244.246 g/mol |
SMILES |
CC(=O)OCC(OC=1C2=CC=CC=C2C=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94872 |