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4-nitrobenzoic acid benzyl ester
SpectraBase Compound ID 6YM0JLhsi8I
InChI InChI=1S/C14H11NO4/c16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9H,10H2
InChIKey XCQFGJYVKKCUFX-UHFFFAOYSA-N
Mol Weight 257.24 g/mol
Molecular Formula C14H11NO4
Exact Mass 257.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aml3kCbrLMB
Name Benzoic acid, 4-nitro-, phenylmethyl ester
Alternate Name(s) (phenylmethyl) 4-nitrobenzoate Benzyl 4-nitrobenzoate 4-Nitrobenzoic acid (phenylmethyl) ester 4-Nitrobenzoic acid benzyl ester Benzoic acid, 4-nitro, benzyl ester 4-Nitrobenzoic acid, benzyl ester Benzoic acid, p-nitro-, benzyl ester Benzyl p-nitrobenzoate AI3-08669 EINECS 238-854-3
CAS Registry Number 14786-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO4
InChI InChI=1S/C14H11NO4/c16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9H,10H2
InChIKey XCQFGJYVKKCUFX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900316
Molecular Weight 257.245 g/mol
SMILES C(c1ccc(cc1)[N+](=O)[O-])(=O)OCc1ccccc1
SPLASH splash10-0zfu-8960000000-285e217cca8b7c711e9a
Source of Spectrum ASC-351-2091/SM6-6_1
Wiley ID 1763332