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4-(Benzyloxy)phenyl 3,5-dinitrobenzoate
SpectraBase Compound ID BC7W3VFvsQ3
InChI InChI=1S/C20H14N2O7/c23-20(15-10-16(21(24)25)12-17(11-15)22(26)27)29-19-8-6-18(7-9-19)28-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey DTCGYGISOJIBDC-UHFFFAOYSA-N
Mol Weight 394.34 g/mol
Molecular Formula C20H14N2O7
Exact Mass 394.080101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID z085Kua7gt
Name 4-(Benzyloxy)phenyl 3,5-dinitrobenzoate
Alternate Name(s) (4-phenylmethoxyphenyl) 3,5-dinitrobenzoate 3,5-Dinitro-benzoic acid 4-benzyloxy-phenyl ester 3,5-Dinitrobenzoic acid (4-benzoxyphenyl) ester 3,5-Dinitrobenzoic acid (4-phenylmethoxyphenyl) ester
CAS Registry Number 301657-33-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N2O7
InChI InChI=1S/C20H14N2O7/c23-20(15-10-16(21(24)25)12-17(11-15)22(26)27)29-19-8-6-18(7-9-19)28-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey DTCGYGISOJIBDC-UHFFFAOYSA-N
Molecular Weight 394.339 g/mol
SMILES c1(cc(cc(c1)N(=O)=O)N(=O)=O)C(Oc1ccc(OCc2ccccc2)cc1)=O
SPLASH splash10-0006-9000000000-a3d735ca13c418c7d03a
Wiley ID 1458028