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phenyl 3-amino-5-nitrobenzoate

View entire compound with spectra: 2 MS (GC)

phenyl 3-amino-5-nitrobenzoate
SpectraBase Compound ID FeV7cI7w9ZZ
InChI InChI=1S/C13H10N2O4/c14-10-6-9(7-11(8-10)15(17)18)13(16)19-12-4-2-1-3-5-12/h1-8H,14H2
InChIKey YBONOUQESZJOOF-UHFFFAOYSA-N
Mol Weight 258.23 g/mol
Molecular Formula C13H10N2O4
Exact Mass 258.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7n7N3at4jYg
Name phenyl 3-amino-5-nitrobenzoate
Alternate Name(s) 3-Amino-5-nitrobenzoic acid phenyl ester phenyl 3-amino-5-nitro-benzoate phenyl 3-azanyl-5-nitro-benzoate
CAS Registry Number 55076-34-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O4
InChI InChI=1S/C13H10N2O4/c14-10-6-9(7-11(8-10)15(17)18)13(16)19-12-4-2-1-3-5-12/h1-8H,14H2
InChIKey YBONOUQESZJOOF-UHFFFAOYSA-N
Molecular Weight 258.233 g/mol
SMILES Nc1cc(N(=O)=O)cc(C(Oc2ccccc2)=O)c1
SPLASH splash10-0a4i-0090000000-eeeede7337260a0dd64d
Source of Spectrum W5-22834-0-0
Wiley ID 1261497