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N-(2-(2,5-Dimethoxy-4-[(2-methylpropyl)thio)phenyl)ethyl)-3-methoxybenzamide
SpectraBase Compound ID CT4DlPgrzWS
InChI InChI=1S/C22H29NO4S/c1-15(2)14-28-21-13-19(26-4)16(12-20(21)27-5)9-10-23-22(24)17-7-6-8-18(11-17)25-3/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,23,24)
InChIKey HBQNQBLAEPTHPI-UHFFFAOYSA-N
Mol Weight 403.54 g/mol
Molecular Formula C22H29NO4S
Exact Mass 403.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ITFzs0hSeu
Name N-(2-(2,5-Dimethoxy-4-[(2-methylpropyl)thio)phenyl)ethyl)-3-methoxybenzamide
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 403.181729588 u
Formula C22H29NO4S
InChI InChI=1S/C22H29NO4S/c1-15(2)14-28-21-13-19(26-4)16(12-20(21)27-5)9-10-23-22(24)17-7-6-8-18(11-17)25-3/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,23,24)
InChIKey HBQNQBLAEPTHPI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 403.537 g/mol
Nominal Mass 403 u
Quality 993
Retention Index 2962
SMILES C=1(C(=CC(=C(C1)OC)SCC(C)C)OC)CCNC(C=1C=C(C=CC1)OC)=O
SPLASH splash10-0udi-2590200000-2d5e000979e24e785a34
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(2,5-dimethoxy-4-((2-methylpropyl)sulfanyl)phenyl)ethyl)-3-methoxybenzamide
Technique GC/MS
Wiley ID DD2024_022602