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4-Formylphenyl 3,5-dinitrobenzoate
SpectraBase Compound ID 8Estbo97zXK
InChI InChI=1S/C14H8N2O7/c17-8-9-1-3-13(4-2-9)23-14(18)10-5-11(15(19)20)7-12(6-10)16(21)22/h1-8H
InChIKey SGNIGNHTPGVKCH-UHFFFAOYSA-N
Mol Weight 316.23 g/mol
Molecular Formula C14H8N2O7
Exact Mass 316.033151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83MFVijBUYV
Name 4-Formylphenyl 3,5-dinitrobenzoate
Alternate Name(s) (4-methanoylphenyl) 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid (4-formylphenyl) ester Benzoic acid, 3,5-dinitro-, 4-formylphenyl ester
CAS Registry Number 311330-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2O7
InChI InChI=1S/C14H8N2O7/c17-8-9-1-3-13(4-2-9)23-14(18)10-5-11(15(19)20)7-12(6-10)16(21)22/h1-8H
InChIKey SGNIGNHTPGVKCH-UHFFFAOYSA-N
Molecular Weight 316.225 g/mol
SMILES c1c(C=O)ccc(OC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)c1
SPLASH splash10-0002-7901000000-985ba32471fecd1bfc6e
Source of Spectrum AD-0-2532-0
Wiley ID 1422432