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Benzoic acid, 3-(2,4-dinitrophenylamino)-, butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 3-(2,4-dinitrophenylamino)-, butyl ester
SpectraBase Compound ID FU6MVRxY7J9
InChI InChI=1S/C17H17N3O6/c1-2-3-9-26-17(21)12-5-4-6-13(10-12)18-15-8-7-14(19(22)23)11-16(15)20(24)25/h4-8,10-11,18H,2-3,9H2,1H3
InChIKey QJUSXSFPMRMORP-UHFFFAOYSA-N
Mol Weight 359.34 g/mol
Molecular Formula C17H17N3O6
Exact Mass 359.111735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49GjKwAB0XO
Name Benzoic acid, 3-(2,4-dinitrophenylamino)-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.111735273 u
Formula C17H17N3O6
InChI InChI=1S/C17H17N3O6/c1-2-3-9-26-17(21)12-5-4-6-13(10-12)18-15-8-7-14(19(22)23)11-16(15)20(24)25/h4-8,10-11,18H,2-3,9H2,1H3
InChIKey QJUSXSFPMRMORP-UHFFFAOYSA-N
Molecular Weight 359.338 g/mol
SMILES C1(N(=O)=O)=CC(N(=O)=O)=CC=C1NC=1C=C(C(=O)OCCCC)C=CC1