SpectraBase Spectrum ID |
8K4w2b5GCLA |
Name |
Toliprolol 2AC |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
307.178358285 u |
Formula |
C17H25NO4 |
InChI |
InChI=1S/C17H25NO4/c1-12(2)18(14(4)19)10-17(22-15(5)20)11-21-16-8-6-7-13(3)9-16/h6-9,12,17H,10-11H2,1-5H3 |
InChIKey |
VWNKTXNHHHARGH-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
307.390 g/mol |
Nominal Mass |
307 u |
Quality |
921 |
Retention Index |
2269 |
SMILES |
C(N(C(=O)C)C(C)C)C(COC1=CC(=CC=C1)C)OC(=O)C |
SPLASH |
splash10-0ukd-7960000000-e1a61e81f40fbd3f751c |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(acetyl(propan-2-yl)amino)-3-(3-methylphenoxy)propan-2-yl acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_007985 |