| SpectraBase Spectrum ID |
DmmUhmLInVw |
| Name |
4-(Acetyloxy)benzenepropanoic acid methyl ester |
| CAS Registry Number |
54965-55-8 |
| Classification |
Drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-4,6-7H,5,8H2,1-2H3 |
| InChIKey |
UOCVMKKUMXGHFF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.240 g/mol |
| Nominal Mass |
222 u |
| Quality |
875 |
| Retention Index |
1597 |
| SMILES |
C=1(C=CC(=CC1)CCC(OC)=O)OC(=O)C |
| SPLASH |
splash10-0ac0-2900000000-583cc91a3f279cc1909c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000047 |
