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3-[2,2-Dimethyl-5-nitro-2H-1-benzopyran-6-yl]acrylic acid
SpectraBase Compound ID 2Tpa0V1nSF7
InChI InChI=1S/C14H13NO5/c1-14(2)8-7-10-11(20-14)5-3-9(4-6-12(16)17)13(10)15(18)19/h3-8H,1-2H3,(H,16,17)/b6-4+
InChIKey GQQVDOBXLWBKCE-GQCTYLIASA-N
Mol Weight 275.26 g/mol
Molecular Formula C14H13NO5
Exact Mass 275.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5Avk1Vf7gn
Name 3-[2,2-Dimethyl-5-nitro-2H-1-benzopyran-6-yl]acrylic acid
Alternate Name(s) (2E)-3-(2,2-dimethyl-5-nitro-2H-chromen-6-yl)-2-propenoic acid
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Formula C14H13NO5
InChI InChI=1S/C14H13NO5/c1-14(2)8-7-10-11(20-14)5-3-9(4-6-12(16)17)13(10)15(18)19/h3-8H,1-2H3,(H,16,17)/b6-4+
InChIKey GQQVDOBXLWBKCE-GQCTYLIASA-N
Molecular Weight 275.260 g/mol
SMILES OC(\C=C\c1c(c2C=CC(Oc2cc1)(C)C)N(=O)=O)=O
SPLASH splash10-03di-0190000000-646cf79c4479b41661a6
Source of Spectrum SO-0-1250-11
Wiley ID 874916