| SpectraBase Spectrum ID |
5WUnvffEYRk |
| Name |
3-Methoxy-benzoic acid isobutyl ester |
| Classification |
Pharmaceutical drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-5-4-6-11(7-10)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey |
YMOAQFMEIBYZJW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
999 |
| Retention Index |
1582 |
| SMILES |
C=1(C(OCC(C)C)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0udr-3910000000-ae5664efe9655c35c7a9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isobutyl m-methoxybenzoate
3-Methoxybenzoic acid,2-butyl ester
m-Anisic acid isobutyl ester
2-Methyl-propyl 3-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022279 |
