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Etafenone-M (HO-) isomer-1
SpectraBase Compound ID K2U7PjVoOHW
InChI InChI=1S/C21H27NO3/c1-3-22(4-2)15-16-25-21-8-6-5-7-19(21)20(24)14-11-17-9-12-18(23)13-10-17/h5-10,12-13,23H,3-4,11,14-16H2,1-2H3
InChIKey OMTUZJOQGNFZQF-UHFFFAOYSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnccZbwQfmw
Name Etafenone-M (HO-) isomer-1
Classification Coronary dilator
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 341.199093730 u
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-3-22(4-2)15-16-25-21-8-6-5-7-19(21)20(24)14-11-17-9-12-18(23)13-10-17/h5-10,12-13,23H,3-4,11,14-16H2,1-2H3
InChIKey OMTUZJOQGNFZQF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 341.451 g/mol
SMILES c1cc(C(=O)CCc2ccc(cc2)O)c(OCCN(CC)CC)cc1
SPLASH splash10-000i-9000000000-8d38b4830d45a7bb293a
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: UHY
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_3347