| SpectraBase Spectrum ID |
ApXa98rphxS |
| Name |
Isovanillic acid, o-(methoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.063388100 u |
| Formula |
C11H12O6 |
| InChI |
InChI=1S/C11H12O6/c1-14-8-5-4-7(10(12)15-2)6-9(8)17-11(13)16-3/h4-6H,1-3H3 |
| InChIKey |
BODWQVGWBKKVPR-UHFFFAOYSA-N |
| Molecular Weight |
240.211 g/mol |
| SMILES |
C(C1=CC=C(C(=C1)OC(OC)=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959991 |
