| SpectraBase Spectrum ID |
DmSkoIyW7ai |
| Name |
2-Hydroxy-benzoic acid 3-methylbutyl ester |
| CAS Registry Number |
87-20-7 |
| Classification |
Chemical |
| 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)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3 |
| InChIKey |
PMGCQNGBLMMXEW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
993 |
| Retention Index |
1500 |
| SMILES |
OC=1C(C(OCCC(C)C)=O)=CC=CC1 |
| SPLASH |
splash10-00di-3910000000-f681be35cf1016415c5f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methylbutyl 2-hydroxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018182 |
