| SpectraBase Spectrum ID |
57NpVoi89u0 |
| Name |
1-Allyl-3,5-dichloro-2,6-dimethoxy-4-(methoxymethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.047649772 u |
| Formula |
C13H16Cl2O3 |
| InChI |
InChI=1S/C13H16Cl2O3/c1-5-6-8-12(17-3)10(14)9(7-16-2)11(15)13(8)18-4/h5H,1,6-7H2,2-4H3 |
| InChIKey |
KFARTRJPNRSNBC-UHFFFAOYSA-N |
| Molecular Weight |
291.174 g/mol |
| SMILES |
C=1(C(=C(OC)C(=C(C1Cl)OC)CC=C)Cl)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869465 |
