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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 36avuNhBpY
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 10.1021/jo3012573
Molecular Weight 257.245 g/mol
SMILES c1(ccc([N+](=O)[O-])cc1)C(OCc1ccccc1)=O
SPLASH splash10-0ukc-4930000000-e79d8610b902c42c2b26
Source of Spectrum J-77-8348-3da
Wiley ID 1745240