| SpectraBase Spectrum ID |
FZlch6Gaq1S |
| Name |
Methyl (Z)-2-[6-methoxy-3-oxoisobenzofuran-1-(3H)-ylidene]acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.052823417 u |
| Formula |
C12H10O5 |
| InChI |
InChI=1S/C12H10O5/c1-15-7-3-4-8-9(5-7)10(17-12(8)14)6-11(13)16-2/h3-6H,1-2H3/b10-6- |
| InChIKey |
YNGLADZSNCMJSO-POHAHGRESA-N |
| Molecular Weight |
234.207 g/mol |
| SMILES |
C(\C=C\1OC(C=2C=CC(=CC12)OC)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946613 |
