| SpectraBase Spectrum ID |
GWmyqsAUNqS |
| Name |
4-Methoxy-benzoic acid iso-butyl ester |
| CAS Registry Number |
27739-28-2 |
| Classification |
Chemical |
| 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)10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChIKey |
HQYSDZUOGBUYJA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
994 |
| Retention Index |
1591 |
| SMILES |
C=1(C(OCC(C)C)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-0f79-3900000000-2e594803fefcc9b73442 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Methoxybenzoic acid,2-methylpropyl ester
3-Methoxybenzoic acid,2-methylpropyl ester
iso-Butyl-4-methoxy benzoate
Isobutyl 4-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015129 |
