SpectraBase Spectrum ID |
JV5pBEybNZs |
Name |
7-Hydroxy-4-methyl-8-propionylcoumarin |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
232.073558862 u |
Formula |
C13H12O4 |
InChI |
InChI=1S/C13H12O4/c1-3-9(14)12-10(15)5-4-8-7(2)6-11(16)17-13(8)12/h4-6,15H,3H2,1-2H3 |
InChIKey |
YTEBADYGXJZKDM-UHFFFAOYSA-N |
Molecular Weight |
232.235 g/mol |
SMILES |
OC=1C=CC=2C(=CC(OC2C1C(CC)=O)=O)C |
Spectrum/Structure Validation Score (Raman) |
0.970855 |