| SpectraBase Spectrum ID |
2mQgzACQvTc |
| Name |
2-Methoxy-benzoic acid isobutyl ester |
| CAS Registry Number |
81763-24-8 |
| Classification |
Pharmaceutical drug precursor |
| Comments |
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)10-6-4-5-7-11(10)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey |
ODCRXIIYCSXTLW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
986 |
| Retention Index |
1550 |
| SMILES |
C=1(C(=CC=CC1)OC)C(OCC(C)C)=O |
| SPLASH |
splash10-000i-3900000000-a8ad1f932f9ad050962c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,2-methoxy-,isobutyl ester
2-Methoxybenzoic acid 2-methylpropyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015045 |
