| SpectraBase Spectrum ID |
LWGdZBc8iBn |
| Name |
Ritodrine -H2O 2HFB |
| Classification |
Toccolytic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
661.093402309 u |
| Formula |
C25H17F14NO4 |
| InChI |
InChI=1S/C25H17F14NO4/c1-13(12-15-4-8-17(9-5-15)44-19(42)21(28,29)23(32,33)25(37,38)39)40-11-10-14-2-6-16(7-3-14)43-18(41)20(26,27)22(30,31)24(34,35)36/h2-9,12,40H,10-11H2,1H3/b13-12- |
| InChIKey |
BRBHERXSYLDPKY-SEYXRHQNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
661.392 g/mol |
| Related CAS Registry Number(s) |
26652-09-5 |
| SMILES |
c1c(\C=C\(C)NCCc2ccc(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)cc2)ccc(OC(C(F)(F)C(C(F)(F)F)(F)F)=O)c1 |
| SPLASH |
splash10-014i-2309001000-9955089e44287dd72708 |
| 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_6185 |
