| SpectraBase Spectrum ID |
82nouT0fjac |
| Name |
3-Methoxy-benzoic acid but-2-yl 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/c1-4-9(2)15-12(13)10-6-5-7-11(8-10)14-3/h5-9H,4H2,1-3H3 |
| InChIKey |
GYWKZJWHOBPYSK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
992 |
| Retention Index |
1543 |
| SMILES |
C=1(C(OC(CC)C)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0f79-4900000000-1bef395993c45ff29c55 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
But-2-yl m-methoxybenzoate
m-Anisic acid but-2-yl ester
butan-2-yl 3-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015086 |
