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Etilefrine 3AC
SpectraBase Compound ID 4tU0uz2QKpD
InChI InChI=1S/C16H21NO5/c1-5-9-17(11(2)18)16(22-13(4)20)14-7-6-8-15(10-14)21-12(3)19/h6-8,10,16H,5,9H2,1-4H3
InChIKey WALPVVBHXIVZFQ-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95z4wXpR4EX
Name Etilefrine 3AC
Classification Sympathomimetic
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Exact Mass 307.141972775 u
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-5-9-17(11(2)18)16(22-13(4)20)14-7-6-8-15(10-14)21-12(3)19/h6-8,10,16H,5,9H2,1-4H3
InChIKey WALPVVBHXIVZFQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 307.346 g/mol
Related CAS Registry Number(s) 709-55-7
SMILES c1c(C(OC(C)=O)N(CCC)C(=O)C)cc(OC(C)=O)cc1
SPLASH splash10-0pb9-8910000000-27a9c41cffa87180fd64
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: U+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_768