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N-(4-Isopropylbenzyl)-3,5-dinitrobenzamide
SpectraBase Compound ID Fn6bhJPwwGX
InChI InChI=1S/C17H17N3O5/c1-11(2)13-5-3-12(4-6-13)10-18-17(21)14-7-15(19(22)23)9-16(8-14)20(24)25/h3-9,11H,10H2,1-2H3,(H,18,21)
InChIKey KRODDNLFJIWFRN-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C17H17N3O5
Exact Mass 343.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYicbEACqoU
Name N-(4-Isopropylbenzyl)-3,5-dinitrobenzamide
Alternate Name(s) 3,5-Dinitro-N-[(4-propan-2-ylphenyl)methyl]benzamide Benzamide, N-[[4-(1-methylethyl)phenyl]methyl]-3,5-dinitro- N-[(4-isopropylphenyl)methyl]-3,5-dinitro-benzamide
CAS Registry Number 328031-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O5
InChI InChI=1S/C17H17N3O5/c1-11(2)13-5-3-12(4-6-13)10-18-17(21)14-7-15(19(22)23)9-16(8-14)20(24)25/h3-9,11H,10H2,1-2H3,(H,18,21)
InChIKey KRODDNLFJIWFRN-UHFFFAOYSA-N
Molecular Weight 343.339 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)Cc1ccc(cc1)C(C)C
SPLASH splash10-014j-5901000000-91f09337316a7d6943f6
Source of Spectrum AD-0-2532-0
Wiley ID 1420313