| SpectraBase Spectrum ID |
KAh0gfoCvTJ |
| Name |
3,4,5-Trimethoxy-6-(1'-methoxy-2'-cyanoprop-1-enyl)toluene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.115758027 u |
| Formula |
C14H17NO4 |
| InChI |
InChI=1S/C14H17NO4/c1-9(8-15)13(18-4)10-6-11(16-2)14(19-5)12(7-10)17-3/h6-7H,1-5H3/b13-9+ |
| InChIKey |
VWOXFPQJQPFVBD-UKTHLTGXSA-N |
| Molecular Weight |
263.293 g/mol |
| SMILES |
C1(\C(=C/(C#N)C)OC)=CC(OC)=C(C(=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97141 |
