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Ritodrine -H2O 3AC
SpectraBase Compound ID JCqT5Damr5L
InChI InChI=1S/C23H25NO5/c1-16(15-21-7-11-23(12-8-21)29-19(4)27)24(17(2)25)14-13-20-5-9-22(10-6-20)28-18(3)26/h5-12,15H,13-14H2,1-4H3/b16-15-
InChIKey DYHRKJIVFJCSTP-NXVVXOECSA-N
Mol Weight 395.46 g/mol
Molecular Formula C23H25NO5
Exact Mass 395.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcHu8dTXCZR
Name Ritodrine -H2O 3AC
Classification Toccolytic
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Exact Mass 395.173272904 u
Formula C23H25NO5
InChI InChI=1S/C23H25NO5/c1-16(15-21-7-11-23(12-8-21)29-19(4)27)24(17(2)25)14-13-20-5-9-22(10-6-20)28-18(3)26/h5-12,15H,13-14H2,1-4H3/b16-15-
InChIKey DYHRKJIVFJCSTP-NXVVXOECSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 395.455 g/mol
Related CAS Registry Number(s) 26652-09-5
SMILES C(N(\C(=C/c1ccc(OC(=O)C)cc1)C)CCc1ccc(OC(=O)C)cc1)(=O)C
SPLASH splash10-0229-2920000000-b45d8d15ba3773a9c20e
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.
Sample Preparation Procedure Detected: UHYAC
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_5618