| SpectraBase Spectrum ID |
JH7FherBIQq |
| Name |
Noradrenaline 4PFP |
| CAS Registry Number |
55256-13-8 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
752.990314822 u |
| Formula |
C20H7F20NO7 |
| InChI |
InChI=1S/C20H7F20NO7/c21-13(22,17(29,30)31)9(42)41-4-8(48-12(45)16(27,28)20(38,39)40)5-1-2-6(46-10(43)14(23,24)18(32,33)34)7(3-5)47-11(44)15(25,26)19(35,36)37/h1-3,8H,4H2,(H,41,42)/t8-/m0/s1 |
| InChIKey |
BLOMCUYCULPLFG-QMMMGPOBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
753.244 g/mol |
| Nominal Mass |
753 u |
| Quality |
993 |
| Retention Index |
5300 |
| SMILES |
[C@@](C1=CC(=C(OC(C(C(F)(F)F)(F)F)=O)C=C1)OC(C(C(F)(F)F)(F)F)=O)(OC(C(C(F)(F)F)(F)F)=O)(CNC(C(C(F)(F)F)(F)F)=O)[H] |
| SPLASH |
splash10-00or-1900010000-96a46c058af4838a7902 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R)-1-(3,4-bis((2,2,3,3,3-pentafluoropropanoyl)oxy)phenyl)-2-((2,2,3,3,3-pentafluoropropanoyl)\ramino)ethyl 2,2,3,3,3-pentafluoropropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003278 |
