| SpectraBase Spectrum ID |
9HTZPwODGc2 |
| Name |
3,4-Dihydroxy-5-(3'-methyl-4'-oxobut-2'-enyl)-benzaldehyde,montadial-A |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.073558862 u |
| Formula |
C12H12O4 |
| InChI |
InChI=1S/C12H12O4/c1-8(6-13)2-3-10-4-9(7-14)5-11(15)12(10)16/h2,4-7,15-16H,3H2,1H3/b8-2+ |
| InChIKey |
GYXDZVGSSXSODD-KRXBUXKQSA-N |
| Molecular Weight |
220.224 g/mol |
| SMILES |
C(=O)C1=CC(O)=C(O)C(C\C=C/(C)C=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835524 |
