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N-(4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)acetamide
SpectraBase Compound ID IonpvrFgDnD
InChI InChI=1S/C18H26N2O3/c1-13(2)18(12-19,9-6-10-20-14(3)21)15-7-8-16(22-4)17(11-15)23-5/h7-8,11,13H,6,9-10H2,1-5H3,(H,20,21)
InChIKey WGTGRACGOFYLKN-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C18H26N2O3
Exact Mass 318.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oLC6IOlqnA
Name Verapamil-M (N-Desalkyl,-CH3) AC
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.194342702 u
Formula C18H26N2O3
InChI InChI=1S/C18H26N2O3/c1-13(2)18(12-19,9-6-10-20-14(3)21)15-7-8-16(22-4)17(11-15)23-5/h7-8,11,13H,6,9-10H2,1-5H3,(H,20,21)
InChIKey WGTGRACGOFYLKN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 318.417 g/mol
Nominal Mass 318 u
Quality 864
Retention Index 2425
SMILES C(C=1C=C(C(=CC1)OC)OC)(C(C)C)(CCCNC(=O)C)C#N
SPLASH splash10-0059-3791000000-f939b2c2d7ce7d939aa9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)acetamide
Technique GC/MS
Wiley ID DD2024_004251