| SpectraBase Spectrum ID |
2FAl29WoMjd |
| Name |
Methyl 5-[(E)-4-chlorobut-2-enyl]-3-methoxy-4,6-dimethylsalicylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.097186788 u |
| Formula |
C15H19ClO4 |
| InChI |
InChI=1S/C15H19ClO4/c1-9-11(7-5-6-8-16)10(2)14(19-3)13(17)12(9)15(18)20-4/h5-6,17H,7-8H2,1-4H3/b6-5+ |
| InChIKey |
OVVAKWXXEVYMFN-AATRIKPKSA-N |
| SMILES |
C=1(C(=C(OC)C(=C(C1C)C\C=C\CCl)C)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97138 |
![Methyl 5-[(E)-4-chlorobut-2-enyl]-3-methoxy-4,6-dimethylsalicylate](/api/spectrum/2FAl29WoMjd/structure.png?h=300&w=458 "Methyl 5-[(E)-4-chlorobut-2-enyl]-3-methoxy-4,6-dimethylsalicylate")
