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Etafenone-M (HO-methoxy-) AC
SpectraBase Compound ID CbQ8ICvEsGS
InChI InChI=1S/C24H31NO5/c1-5-25(6-2)15-16-29-22-10-8-7-9-20(22)21(27)13-11-19-12-14-23(28-4)24(17-19)30-18(3)26/h7-10,12,14,17H,5-6,11,13,15-16H2,1-4H3
InChIKey AYYFCPGCODCMFC-UHFFFAOYSA-N
Mol Weight 413.51 g/mol
Molecular Formula C24H31NO5
Exact Mass 413.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKOgxV0aPrU
Name Etafenone-M (HO-methoxy-) AC
Classification Coronary dilator
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 413.220223097 u
Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-5-25(6-2)15-16-29-22-10-8-7-9-20(22)21(27)13-11-19-12-14-23(28-4)24(17-19)30-18(3)26/h7-10,12,14,17H,5-6,11,13,15-16H2,1-4H3
InChIKey AYYFCPGCODCMFC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 413.514 g/mol
SMILES c1cc(C(=O)CCc2cc(OC(C)=O)c(cc2)OC)c(cc1)OCCN(CC)CC
SPLASH splash10-000i-9100000000-a084ccaa98710acc683a
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_3357