| SpectraBase Spectrum ID |
5YSPDHRw3Yu |
| Name |
3-Methoxybenzoic acid 2-pentyl ester |
| CAS Registry Number |
212260-88-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-4-6-10(2)16-13(14)11-7-5-8-12(9-11)15-3/h5,7-10H,4,6H2,1-3H3 |
| InChIKey |
WBZAPDILHGGLRV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
974 |
| Retention Index |
1588 |
| SMILES |
C=1(C(OC(CCC)C)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0udr-4900000000-cbb0351a89786d1e8fff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
pentan-2-yl 3-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006748 |
