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Etafenone-M (HO-) isomer-2 AC
SpectraBase Compound ID INZAtycKG2K
InChI InChI=1S/C23H29NO4/c1-4-24(5-2)15-16-27-23-12-7-6-11-21(23)22(26)14-13-19-9-8-10-20(17-19)28-18(3)25/h6-12,17H,4-5,13-16H2,1-3H3
InChIKey YBEDNFOSIYWNCK-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzTsZVO4DmV
Name Etafenone-M (HO-) isomer-2 AC
Classification Coronary dilator
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-4-24(5-2)15-16-27-23-12-7-6-11-21(23)22(26)14-13-19-9-8-10-20(17-19)28-18(3)25/h6-12,17H,4-5,13-16H2,1-3H3
InChIKey YBEDNFOSIYWNCK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 383.488 g/mol
SMILES c1ccc(OCCN(CC)CC)c(C(=O)CCc2cc(OC(C)=O)ccc2)c1
SPLASH splash10-000i-9100000000-1800f116b7582dd6e6c9
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_3356