| SpectraBase Spectrum ID |
6JzTAPVhc3P |
| Name |
4-Methoxy-benzoic acid pent-2-yl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-4-5-10(2)16-13(14)11-6-8-12(15-3)9-7-11/h6-10H,4-5H2,1-3H3 |
| InChIKey |
VFZJLJOHQLTMBG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
986 |
| Retention Index |
1660 |
| SMILES |
C1(C(OC(CCC)C)=O)=CC=C(C=C1)OC |
| SPLASH |
splash10-0f79-3900000000-f2516b4e97e65f887330 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pent-2-yl-4-methoxy benzoate
pentan-2-yl 4-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015135 |
