| SpectraBase Spectrum ID |
JINNbo8dSaG |
| Name |
2-Methoxybenzoic acid isopentyl ester |
| Classification |
Pharmaceutical drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-6-4-5-7-12(11)15-3/h4-7,10H,8-9H2,1-3H3 |
| InChIKey |
ZSQXARQEFCHHOX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
983 |
| Retention Index |
1640 |
| SMILES |
C=1(C(=CC=CC1)OC)C(OCCC(C)C)=O |
| SPLASH |
splash10-000i-4900000000-83ecfb53da3775920ec6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
iso-Pentyl 2-methoxy benzoate
3-methylbutyl 2-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015500 |
