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(R,S)-3-(3,5-dinitrobenzamido)-1-phenylheptane
SpectraBase Compound ID DKpvyPs5zSq
InChI InChI=1S/C20H23N3O5/c1-2-3-9-17(11-10-15-7-5-4-6-8-15)21-20(24)16-12-18(22(25)26)14-19(13-16)23(27)28/h4-8,12-14,17H,2-3,9-11H2,1H3,(H,21,24)/t17-/m1/s1
InChIKey BOQZMYJPLAMEBT-QGZVFWFLSA-N
Mol Weight 385.42 g/mol
Molecular Formula C20H23N3O5
Exact Mass 385.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aJpVgX0Ge
Name (R,S)-3-(3,5-dinitrobenzamido)-1-phenylheptane
Alternate Name(s) (R)-N-(3,5-Dinitrobenzoyl)-3-amino-1-phenylheptane 3,5-Dinitro-N-[(1R)-1-(2-phenylethyl)pentyl]benzamide
CAS Registry Number 129757-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O5
InChI InChI=1S/C20H23N3O5/c1-2-3-9-17(11-10-15-7-5-4-6-8-15)21-20(24)16-12-18(22(25)26)14-19(13-16)23(27)28/h4-8,12-14,17H,2-3,9-11H2,1H3,(H,21,24)/t17-/m1/s1
InChIKey BOQZMYJPLAMEBT-QGZVFWFLSA-N
Molecular Weight 385.420 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)[C@@](CCc1ccccc1)(CCCC)[H]
SPLASH splash10-0g5d-4960000000-083c00387ec14e6a4802
Source of Spectrum QC-21-1294-33
Wiley ID 1688347