| SpectraBase Spectrum ID |
2os8JpHjJFA |
| Name |
3-Methoxy-benzoic acid pent-3-yl ester |
| Classification |
Pharmaceutical drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-4-11(5-2)16-13(14)10-7-6-8-12(9-10)15-3/h6-9,11H,4-5H2,1-3H3 |
| InChIKey |
HZIYDRWVMGFFMW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
995 |
| Retention Index |
1616 |
| SMILES |
C=1(C(OC(CC)CC)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0f79-3900000000-a24151408c330634025a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pent-3-yl m-methoxybenzoate
m-Anisic acid pent-3-yl ester
pentan-3-yl 3-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015085 |
