| SpectraBase Spectrum ID |
3xwx09exbnv |
| Name |
Butyl 2-[3-(2-butoxy-2-oxo-ethoxy)phenyl]-2-methyl-butanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.224974125 u |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-5-8-13-24-19(22)16-26-18-12-10-11-17(15-18)21(4,7-3)20(23)25-14-9-6-2/h10-12,15H,5-9,13-14,16H2,1-4H3 |
| InChIKey |
GOZKDTIXKBYQOO-UHFFFAOYSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
CCCCOC(C(C1=CC=CC(=C1)OCC(OCCCC)=O)(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944178 |
