| SpectraBase Spectrum ID |
6fbeCWWAaIf |
| Name |
Benzoic acid, 3-(3-methylbutyl)oxy-, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-13(2)8-10-19-16-7-5-6-15(12-16)17(18)20-11-9-14(3)4/h5-7,12-14H,8-11H2,1-4H3 |
| InChIKey |
HJSKFAIZIUUWEE-UHFFFAOYSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
C1=C(C=CC=C1C(OCCC(C)C)=O)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864704 |
