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(Z)-3,4,5-Trimethoxy-cinnamoylecgoninemethyl ester
SpectraBase Compound ID 1Z9SSGl9HLA
InChI InChI=1S/C22H29NO7/c1-23-14-7-8-15(23)20(22(25)29-5)16(12-14)30-19(24)9-6-13-10-17(26-2)21(28-4)18(11-13)27-3/h6,9-11,14-16,20H,7-8,12H2,1-5H3/b9-6-/t14-,15+,16-,20+/m0/s1
InChIKey GZFLUYGBHUUOIN-ICKBIZFJSA-N
Mol Weight 419.47 g/mol
Molecular Formula C22H29NO7
Exact Mass 419.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HSV8TGAguu
Name (Z)-3,4,5-Trimethoxy-cinnamoylecgoninemethyl ester
Classification Tropane alkaloid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 419.194402271 u
Formula C22H29NO7
InChI InChI=1S/C22H29NO7/c1-23-14-7-8-15(23)20(22(25)29-5)16(12-14)30-19(24)9-6-13-10-17(26-2)21(28-4)18(11-13)27-3/h6,9-11,14-16,20H,7-8,12H2,1-5H3/b9-6-/t14-,15+,16-,20+/m0/s1
InChIKey GZFLUYGBHUUOIN-ICKBIZFJSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 419.474 g/mol
Nominal Mass 419 u
Quality 909
Retention Index 3005
SMILES [C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(\C=C/C=1C=C(C(=C(C1)OC)OC)OC)=O)[H])(C(OC)=O)[H]
SPLASH splash10-001i-8940000000-c20cca4a1a86a5530c95
Sample Comments Methoxy position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 8-methyl-3-(((2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl)oxy)-8-azabicyclo[3.2.1]octane-\r2-carboxylate
Technique GC/MS
Wiley ID DD2024_007646