| SpectraBase Spectrum ID |
Ht3Tzd0omDD |
| Name |
[2-(2,5-Dimethoxyphenyl)-3-oxocyclohex-1-enyl]methyl pivalate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.178023932 u |
| Formula |
C20H26O5 |
| InChI |
InChI=1S/C20H26O5/c1-20(2,3)19(22)25-12-13-7-6-8-16(21)18(13)15-11-14(23-4)9-10-17(15)24-5/h9-11H,6-8,12H2,1-5H3 |
| InChIKey |
IZYDKAMTQISGGM-UHFFFAOYSA-N |
| Molecular Weight |
346.423 g/mol |
| SMILES |
C1(C=2C(=CC=C(C2)OC)OC)=C(COC(C(C)(C)C)=O)CCCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840557 |
![[2-(2,5-Dimethoxyphenyl)-3-oxocyclohex-1-enyl]methyl pivalate](/api/spectrum/Ht3Tzd0omDD/structure.png?h=300&w=458 "[2-(2,5-Dimethoxyphenyl)-3-oxocyclohex-1-enyl]methyl pivalate")
