| SpectraBase Spectrum ID |
27TELT5q4m |
| Name |
Esmolol 2TFA |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
487.142956437 u |
| Formula |
C20H23F6NO6 |
| InChI |
InChI=1S/C20H23F6NO6/c1-12(2)27(17(29)19(21,22)23)10-15(33-18(30)20(24,25)26)11-32-14-7-4-13(5-8-14)6-9-16(28)31-3/h4-5,7-8,12,15H,6,9-11H2,1-3H3 |
| InChIKey |
OCMVYTWCVXWFDH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
487.395 g/mol |
| SMILES |
c1c(ccc(c1)CCC(=O)OC)OCC(CN(C(C)C)C(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| SPLASH |
splash10-066r-4696000000-4f31e1c5d5ce0519b987 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6271 |
