| SpectraBase Spectrum ID |
DkAcvIWYB3g |
| Name |
Ibuprofen ME |
| CAS Registry Number |
61566-34-5 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3 |
| InChIKey |
YNZYUHPFNYBBFF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
937 |
| Retention Index |
1591 |
| SMILES |
C=1(C(C(OC)=O)C)C=CC(=CC1)CC(C)C |
| SPLASH |
splash10-03xr-2900000000-bcb0bf739d3f31a38df0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
a-Methyl-4-(2-ethylpropyl)benzeneacetic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001706 |
