| SpectraBase Spectrum ID |
2pSk8zJ1SfQ |
| Name |
2-Methoxy-benzoic acid pentyl ester |
| CAS Registry Number |
22708-14-1 |
| 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 |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-3-4-7-10-16-13(14)11-8-5-6-9-12(11)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3 |
| InChIKey |
TYLMQMJLOUNOGK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
995 |
| Retention Index |
1686 |
| SMILES |
C=1(C(=CC=CC1)OC)C(OCCCCC)=O |
| SPLASH |
splash10-000i-4900000000-2b357e061ffe7d89eef6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,2-methoxy-,pentyl ester
Pentyl o-anisate
Pentyl-2-methoxy benzoate
Pentyl 2-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015530 |
