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3-(2-(2-(N-Methylacetamido)ethyl)-4,5-methylenedioxy-6-methoxyphenyl)-acrylic acid TMS
SpectraBase Compound ID L5dSz2CMfWP
InChI InChI=1S/C19H27NO6Si/c1-13(21)20(2)10-9-15(19(22)26-27(4,5)6)11-14-7-8-16-18(17(14)23-3)25-12-24-16/h7-8,11H,9-10,12H2,1-6H3/b15-11-
InChIKey RSURERQLYQDOHJ-PTNGSMBKSA-N
Mol Weight 393.51 g/mol
Molecular Formula C19H27NO6Si
Exact Mass 393.160764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6A5UXzK5Pv8
Name 3-(2-(2-(N-Methylacetamido)ethyl)-4,5-methylenedioxy-6-methoxyphenyl)-acrylic acid TMS
Classification Designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 393.160764122 u
Formula C19H27NO6Si
InChI InChI=1S/C19H27NO6Si/c1-13(21)20(2)10-9-15(19(22)26-27(4,5)6)11-14-7-8-16-18(17(14)23-3)25-12-24-16/h7-8,11H,9-10,12H2,1-6H3/b15-11-
InChIKey RSURERQLYQDOHJ-PTNGSMBKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 393.511 g/mol
Nominal Mass 393 u
Quality 968
Retention Index 2875
SMILES C12=C(C(\C=C/(C(O[Si](C)(C)C)=O)CCN(C(=O)C)C)=CC=C2OCO1)OC
SPLASH splash10-0ukc-9350000000-fc4aaa6ad85e630a0d67
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms E-EMPAA-TMS trimethylsilyl (2Z)-4-(acetyl(methyl)amino)-2-((4-methoxy-1,3-benzodioxol-5-yl)methylidene)butanoate
Technique GC/MS
Wiley ID DD2024_014202