| SpectraBase Spectrum ID |
1DLAbLjq7s |
| Name |
3-Methoxy-benzoic acid 2-methylbutyl 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/c1-4-10(2)9-16-13(14)11-6-5-7-12(8-11)15-3/h5-8,10H,4,9H2,1-3H3 |
| InChIKey |
JFKPKZDZGBYCDI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
994 |
| Retention Index |
1679 |
| SMILES |
C=1(C(OCC(CC)C)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0udr-3900000000-6d72d72a11c53359d38d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Methylbutyl m-methoxybenzoate
m-Anisic acid 2-methylbutyl ester
2-methylbutyl 3-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015088 |
