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Benzamide, N-benzoyl-N-(5-bromo-1,4-dimethyl-4-pentenyl)-, (E)-
SpectraBase Compound ID CtON33lUPGm
InChI InChI=1S/C21H22BrNO2/c1-16(15-22)13-14-17(2)23(20(24)18-9-5-3-6-10-18)21(25)19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3/b16-15+
InChIKey ZSMLNQYZIGZPBB-FOCLMDBBSA-N
Mol Weight 400.32 g/mol
Molecular Formula C21H22BrNO2
Exact Mass 399.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NOiC3I38o9
Name Benzamide, N-benzoyl-N-(5-bromo-1,4-dimethyl-4-pentenyl)-, (E)-
Alternate Name(s) N-Benzoyl-N-(5-bromo-1,4-dimethylpent-4-enyl)benzamide N-benzoyl-N-[(4E)-5-bromo-1,4-dimethyl-4-pentenyl]benzamide
CAS Registry Number 69169-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO2
InChI InChI=1S/C21H22BrNO2/c1-16(15-22)13-14-17(2)23(20(24)18-9-5-3-6-10-18)21(25)19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3/b16-15+
InChIKey ZSMLNQYZIGZPBB-FOCLMDBBSA-N
Molecular Weight 400.316 g/mol
SMILES C(N(C(=O)c1ccccc1)C(CC\C(=C\Br)C)C)(=O)c1ccccc1
SPLASH splash10-0a4i-5900000000-6b292b9d0f7f67ecb26e
Source of Spectrum B-31-2256-0
Wiley ID 1368947