| SpectraBase Spectrum ID |
B6ZKo5rXbMY |
| Name |
3-Hexanone, 2,2,5,5-tetramethyl-4-[(3,4,5-trimethoxyphenyl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.230059506 u |
| Formula |
C20H32O4 |
| InChI |
InChI=1S/C20H32O4/c1-19(2,3)14(18(21)20(4,5)6)10-13-11-15(22-7)17(24-9)16(12-13)23-8/h11-12,14H,10H2,1-9H3 |
| InChIKey |
NKRPPCPWKCZFGF-UHFFFAOYSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
C(C(C(C)(C)C)CC=1C=C(OC)C(=C(C1)OC)OC)(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930741 |
![3-Hexanone, 2,2,5,5-tetramethyl-4-[(3,4,5-trimethoxyphenyl)methyl]-](/api/spectrum/B6ZKo5rXbMY/structure.png?h=300&w=458 "3-Hexanone, 2,2,5,5-tetramethyl-4-[(3,4,5-trimethoxyphenyl)methyl]-")
