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4-Butyl-N-(4-butylbenzoyl)-N-(4-methoxyphenyl)benzamide
SpectraBase Compound ID C1UpsPqNaTO
InChI InChI=1S/C29H33NO3/c1-4-6-8-22-10-14-24(15-11-22)28(31)30(26-18-20-27(33-3)21-19-26)29(32)25-16-12-23(13-17-25)9-7-5-2/h10-21H,4-9H2,1-3H3
InChIKey COTXDTNZDIKECS-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C29H33NO3
Exact Mass 443.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH4sPkT6CJM
Name 4-Butyl-N-(4-butylbenzoyl)-N-(4-methoxyphenyl)benzamide
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 443.246043924 u
Formula C29H33NO3
InChI InChI=1S/C29H33NO3/c1-4-6-8-22-10-14-24(15-11-22)28(31)30(26-18-20-27(33-3)21-19-26)29(32)25-16-12-23(13-17-25)9-7-5-2/h10-21H,4-9H2,1-3H3
InChIKey COTXDTNZDIKECS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 443.587 g/mol
Nominal Mass 443 u
Quality 998
Retention Index 3500
SMILES C1(N(C(C=2C=CC(=CC2)CCCC)=O)C(C2=CC=C(C=C2)CCCC)=O)=CC=C(C=C1)OC
SPLASH splash10-03di-4900000000-adc661ef9c372a157b78
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_027828