SpectraBase Spectrum ID |
vCJxqd4Tna |
Name |
(3-Ethyl-7-methoxy-4-oxidanylidene-2H-chromen-3-yl)methyl ethanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.115423675 u |
Formula |
C15H18O5 |
InChI |
InChI=1S/C15H18O5/c1-4-15(8-19-10(2)16)9-20-13-7-11(18-3)5-6-12(13)14(15)17/h5-7H,4,8-9H2,1-3H3 |
InChIKey |
FBTNHEKUVGCQHY-UHFFFAOYSA-N |
SMILES |
C1C(C(C=2C=CC(=CC2O1)OC)=O)(CC)COC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954281 |