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Etafenone-M (HO-) isomer-2
SpectraBase Compound ID DhQhHh0Ajkt
InChI InChI=1S/C21H27NO3/c1-3-22(4-2)14-15-25-21-11-6-5-10-19(21)20(24)13-12-17-8-7-9-18(23)16-17/h5-11,16,23H,3-4,12-15H2,1-2H3
InChIKey CHIPPEYYEMMVMU-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 2fjPpTap9CU
Name Etafenone-M (HO-) isomer-2
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)14-15-25-21-11-6-5-10-19(21)20(24)13-12-17-8-7-9-18(23)16-17/h5-11,16,23H,3-4,12-15H2,1-2H3
InChIKey CHIPPEYYEMMVMU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 341.451 g/mol
SMILES c1cc(C(=O)CCc2cccc(c2)O)c(OCCN(CC)CC)cc1
SPLASH splash10-000i-9100000000-c15054be1519bb1c141b
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_3348