| SpectraBase Spectrum ID |
1WTM5YNXoR6 |
| Name |
Ritodrine -H2O 3TFA |
| Classification |
Toccolytic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
559.104126146 u |
| Formula |
C23H18F9NO5 |
| InChI |
InChI=1S/C23H18F9NO5/c1-13(12-15-4-8-17(9-5-15)38-20(36)23(30,31)32)33(18(34)21(24,25)26)11-10-14-2-6-16(7-3-14)37-19(35)22(27,28)29/h2-9,13H,10-12H2,1H3 |
| InChIKey |
NPAUROGIAPBTSE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
559.385 g/mol |
| Related CAS Registry Number(s) |
26652-09-5 |
| SMILES |
C(C)(N(C(C(F)(F)F)=O)CCc1ccc(cc1)OC(C(F)(F)F)=O)Cc1ccc(cc1)OC(C(F)(F)F)=O |
| SPLASH |
splash10-014i-9663000000-cdb2dad0f0ba2a36bff4 |
| 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_6220 |
