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4-(2-Methoxy-5-methyl-phenoxy)-3-nitro-benzoic acid methyl ester
SpectraBase Compound ID Ec9AcLs40dd
InChI InChI=1S/C16H15NO6/c1-10-4-6-14(21-2)15(8-10)23-13-7-5-11(16(18)22-3)9-12(13)17(19)20/h4-9H,1-3H3
InChIKey XHKARCLCSCUWLY-UHFFFAOYSA-N
Mol Weight 317.3 g/mol
Molecular Formula C16H15NO6
Exact Mass 317.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4k1KGIoJUS
Name 4-(2-Methoxy-5-methyl-phenoxy)-3-nitro-benzoic acid methyl ester
Alternate Name(s) Methyl 4-(2-methoxy-5-methyl-phenoxy)-3-nitro-benzoate 4-(2-Methoxy-5-methylphenoxy)-3-nitrobenzoic acid methyl ester
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Formula C16H15NO6
InChI InChI=1S/C16H15NO6/c1-10-4-6-14(21-2)15(8-10)23-13-7-5-11(16(18)22-3)9-12(13)17(19)20/h4-9H,1-3H3
InChIKey XHKARCLCSCUWLY-UHFFFAOYSA-N
Molecular Weight 317.297 g/mol
SMILES c1(N(=O)=O)c(Oc2c(ccc(c2)C)OC)ccc(c1)C(=O)OC
SPLASH splash10-05n0-5901000000-0fc21995e52d73424c42
Source of Spectrum U1-1998-881-11
Wiley ID 751215