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Ethaverine-M (O-deethyl-HO-) 2AC
SpectraBase Compound ID 1Bd73kbcJvo
InChI InChI=1S/C26H29NO7/c1-6-30-22-15-20-19(14-23(22)33-16(4)28)9-10-27-21(20)11-18-12-24(31-7-2)26(32-8-3)25(13-18)34-17(5)29/h9-10,12-15H,6-8,11H2,1-5H3
InChIKey GQZKISYHGWEAJO-UHFFFAOYSA-N
Mol Weight 467.52 g/mol
Molecular Formula C26H29NO7
Exact Mass 467.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33PxEmRNZX6
Name Ethaverine-M (O-deethyl-HO-) 2AC
Classification Antispasmotic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 467.194402271 u
Formula C26H29NO7
InChI InChI=1S/C26H29NO7/c1-6-30-22-15-20-19(14-23(22)33-16(4)28)9-10-27-21(20)11-18-12-24(31-7-2)26(32-8-3)25(13-18)34-17(5)29/h9-10,12-15H,6-8,11H2,1-5H3
InChIKey GQZKISYHGWEAJO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 467.518 g/mol
SMILES c1c2ccnc(Cc3cc(c(OCC)c(c3)OCC)OC(C)=O)c2cc(OCC)c1OC(C)=O
SPLASH splash10-0aor-3239800000-ff6511ddf7744802d959
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_3671