| SpectraBase Spectrum ID |
DkP5lqWP3CK |
| Name |
Esmolol-A/M (-H2O) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
319.178358285 u |
| Formula |
C18H25NO4 |
| InChI |
InChI=1S/C18H25NO4/c1-14(2)19(15(3)20)12-5-13-23-17-9-6-16(7-10-17)8-11-18(21)22-4/h5-7,9-10,13-14H,8,11-12H2,1-4H3/b13-5- |
| InChIKey |
KXUWJFXHTSXHBX-ACAGNQJTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
319.401 g/mol |
| Nominal Mass |
319 u |
| Quality |
830 |
| Retention Index |
2357 |
| SMILES |
C=1(C=CC(=CC1)O\C=C/CN(C(=O)C)C(C)C)CCC(OC)=O |
| SPLASH |
splash10-0udi-5490000000-664dbdeb2c978bba5961 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-(4-((3-(acetyl(propan-2-yl)amino)prop-1-en-1-yl)oxy)phenyl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008102 |
