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Isoprenaline 4AC
SpectraBase Compound ID 1qm2PYqYH2l
InChI InChI=1S/C19H25NO7/c1-11(2)20(12(3)21)10-19(27-15(6)24)16-7-8-17(25-13(4)22)18(9-16)26-14(5)23/h7-9,11,19H,10H2,1-6H3
InChIKey CAOLVAFBMQSPKI-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C19H25NO7
Exact Mass 379.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KN2bgquSknw
Name Isoprenaline 4AC
Classification Sympathomimetic
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Exact Mass 379.163102142 u
Formula C19H25NO7
InChI InChI=1S/C19H25NO7/c1-11(2)20(12(3)21)10-19(27-15(6)24)16-7-8-17(25-13(4)22)18(9-16)26-14(5)23/h7-9,11,19H,10H2,1-6H3
InChIKey CAOLVAFBMQSPKI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 379.409 g/mol
Related CAS Registry Number(s) 7683-59-2
SMILES c1c(OC(C)=O)c(ccc1C(CN(C(C)=O)C(C)C)OC(=O)C)OC(C)=O
SPLASH splash10-001u-6961000000-737030fa10286292ff9b
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_1468