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Benzoic acid, 4-(1,3-benzodioxol-5-yloxy)-3-nitro-, ethyl ester
SpectraBase Compound ID 6CO2darXYJZ
InChI InChI=1S/C16H13NO7/c1-2-21-16(18)10-3-5-13(12(7-10)17(19)20)24-11-4-6-14-15(8-11)23-9-22-14/h3-8H,2,9H2,1H3
InChIKey ZSNYKCXGLDMSLT-UHFFFAOYSA-N
Mol Weight 331.28 g/mol
Molecular Formula C16H13NO7
Exact Mass 331.069202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHGTbCMbNxZ
Name Benzoic acid, 4-(1,3-benzodioxol-5-yloxy)-3-nitro-, ethyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-yloxy)-3-nitrobenzoic acid ethyl ester Ethyl 4-(1,3-benzodioxol-5-yloxy)-3-nitrobenzoate Ethyl 4-(1,3-benzodioxol-5-yloxy)-3-nitro-benzoate
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Formula C16H13NO7
InChI InChI=1S/C16H13NO7/c1-2-21-16(18)10-3-5-13(12(7-10)17(19)20)24-11-4-6-14-15(8-11)23-9-22-14/h3-8H,2,9H2,1H3
InChIKey ZSNYKCXGLDMSLT-UHFFFAOYSA-N
Molecular Weight 331.280 g/mol
SMILES c1(N(=O)=O)c(Oc2cc3OCOc3cc2)ccc(c1)C(=O)OCC
SPLASH splash10-000i-4901000000-2c0581c4727b12a9358e
Source of Spectrum IY-2-4747-9
Wiley ID 1655462