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2C-IP 4-toluoyl
SpectraBase Compound ID 5eIcHq1fWb
InChI InChI=1S/C21H27NO3/c1-14(2)18-13-19(24-4)17(12-20(18)25-5)10-11-22-21(23)16-8-6-15(3)7-9-16/h6-9,12-14H,10-11H2,1-5H3,(H,22,23)
InChIKey NFFGPDGMEDZAEO-UHFFFAOYSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFHqJogz8JE
Name 2C-IP 4-toluoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 341.199093730 u
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-14(2)18-13-19(24-4)17(12-20(18)25-5)10-11-22-21(23)16-8-6-15(3)7-9-16/h6-9,12-14H,10-11H2,1-5H3,(H,22,23)
InChIKey NFFGPDGMEDZAEO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 341.451 g/mol
Nominal Mass 341 u
Quality 827
Retention Index 2649
SMILES C1(=C(C=C(C(=C1)OC)C(C)C)OC)CCNC(C1=CC=C(C=C1)C)=O
SPLASH splash10-052f-3894000000-3ed7ace5c3524b63295d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-[2,5-Dimethoxy-4-(propan-2-yl)phenyl]ethyl)-4-methyl-benzamide
Technique GC/MS
Wiley ID DD2024_025035