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Ethaverine-M (O-deethyl-) iso-2
SpectraBase Compound ID 8jBDx4kNWvV
InChI InChI=1S/C22H25NO4/c1-4-25-20-8-7-15(12-22(20)27-6-3)11-18-17-14-21(26-5-2)19(24)13-16(17)9-10-23-18/h7-10,12-14,24H,4-6,11H2,1-3H3
InChIKey HHGWUDFKQXNFMA-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PAj5qO2ob9
Name Ethaverine-M (O-deethyl-) iso-2
Classification Antispasmotic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-4-25-20-8-7-15(12-22(20)27-6-3)11-18-17-14-21(26-5-2)19(24)13-16(17)9-10-23-18/h7-10,12-14,24H,4-6,11H2,1-3H3
InChIKey HHGWUDFKQXNFMA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 367.445 g/mol
SMILES c1c(O)c(cc2c1ccnc2Cc1cc(c(cc1)OCC)OCC)OCC
SPLASH splash10-00kr-0129000000-bc83dd5197e0c44f40be
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
Synonyms Ethaverine-M (O-deethyl-) isomer-2
Technique GC/MS
Wiley ID MMPW6e_3667