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4-Nitrobenzyl 3-nitrobenzoate
SpectraBase Compound ID CvsB2tKIjIV
InChI InChI=1S/C14H10N2O6/c17-14(11-2-1-3-13(8-11)16(20)21)22-9-10-4-6-12(7-5-10)15(18)19/h1-8H,9H2
InChIKey TYBIUYDQPJQQGT-UHFFFAOYSA-N
Mol Weight 302.24 g/mol
Molecular Formula C14H10N2O6
Exact Mass 302.053886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrGd9wqZMuG
Name 4-Nitrobenzyl 3-nitrobenzoate
Alternate Name(s) (4-nitrophenyl)methyl 3-nitrobenzoate 3-Nitrobenzoic acid (4-nitrobenzyl) ester 3-Nitrobenzoic acid (4-nitrophenyl)methyl ester Benzoic acid, 3-nitro-, 4-nitrobenzyl ester
CAS Registry Number 144866-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N2O6
InChI InChI=1S/C14H10N2O6/c17-14(11-2-1-3-13(8-11)16(20)21)22-9-10-4-6-12(7-5-10)15(18)19/h1-8H,9H2
InChIKey TYBIUYDQPJQQGT-UHFFFAOYSA-N
Molecular Weight 302.242 g/mol
SMILES C(OCc1ccc(cc1)N(=O)=O)(=O)c1cccc(c1)N(=O)=O
SPLASH splash10-0udi-7900000000-4211ca4ab6b9c5a1adf4
Source of Spectrum AD-0-2532-0
Wiley ID 1423653