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3-Me-4-MA N,N-bis-(4-toluoyl)
SpectraBase Compound ID 8FROQQUUATh
InChI InChI=1S/C27H29NO3/c1-18-6-11-23(12-7-18)26(29)28(27(30)24-13-8-19(2)9-14-24)21(4)17-22-10-15-25(31-5)20(3)16-22/h6-16,21H,17H2,1-5H3
InChIKey LNBXGLMCGCYUJL-UHFFFAOYSA-N
Mol Weight 415.53 g/mol
Molecular Formula C27H29NO3
Exact Mass 415.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8F5CDAdafXE
Name 3-Me-4-MA N,N-bis-(4-toluoyl)
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 415.214743795 u
Formula C27H29NO3
InChI InChI=1S/C27H29NO3/c1-18-6-11-23(12-7-18)26(29)28(27(30)24-13-8-19(2)9-14-24)21(4)17-22-10-15-25(31-5)20(3)16-22/h6-16,21H,17H2,1-5H3
InChIKey LNBXGLMCGCYUJL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 415.533 g/mol
Nominal Mass 415 u
Quality 1000
Retention Index 2966
SMILES C(N(C(C1=CC=C(C=C1)C)=O)C(CC=1C=C(C(=CC1)OC)C)C)(C1=CC=C(C=C1)C)=O
SPLASH splash10-03xr-1900000000-dd864f1cb2ce04cc488f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-4-Methylbenzyl-N-[1-(4-methoxy-3-methylphenyl)propan-2-yl]-4-methylbenzamide
Technique GC/MS
Wiley ID DD2024_025029