| SpectraBase Spectrum ID |
GYoQW1VcJjk |
| Name |
3,4-Dimethylbenzoic acid sec.-butyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-5-11(4)15-13(14)12-7-6-9(2)10(3)8-12/h6-8,11H,5H2,1-4H3 |
| InChIKey |
VWKPBQQJEISUSI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
967 |
| Retention Index |
1492 |
| SMILES |
C1(C(OC(CC)C)=O)=CC(=C(C=C1)C)C |
| SPLASH |
splash10-0059-9700000000-b134630770025be6c5a5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dimethylbenzoic acid -1-methylpropyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014679 |
