| SpectraBase Spectrum ID |
K4j0wy2ku7h |
| Name |
2,4,6-Trimethoxy-3-(2-chlorovinyl)benzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.050236595 u |
| Formula |
C12H13ClO4 |
| InChI |
InChI=1S/C12H13ClO4/c1-15-10-6-11(16-2)9(7-14)12(17-3)8(10)4-5-13/h4-7H,1-3H3/b5-4+ |
| InChIKey |
SWAYLNAJZCIHCJ-SNAWJCMRSA-N |
| Molecular Weight |
256.685 g/mol |
| SMILES |
C=1(OC)C(=C(C(\C=C\Cl)=C(C1)OC)OC)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916608 |
