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(Z)-2-amino-3-(4-pyrimidinyl)-2-propenoic acid
SpectraBase Compound ID HFxTsxCaBDW
InChI InChI=1S/C7H7N3O2/c8-6(7(11)12)3-5-1-2-9-4-10-5/h1-4H,8H2,(H,11,12)/b6-3-
InChIKey BMIKJCRKUFPLOD-UTCJRWHESA-N
Mol Weight 165.15 g/mol
Molecular Formula C7H7N3O2
Exact Mass 165.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJ42uyQwtEP
Name (Z)-2-amino-3-(4-pyrimidinyl)-2-propenoic acid
Alternate Name(s) (Z)-2-amino-3-(4-pyrimidyl)acrylic acid (Z)-2-amino-3-pyrimidin-4-yl-prop-2-enoic acid (Z)-2-azanyl-3-pyrimidin-4-yl-prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C7H7N3O2
InChI InChI=1S/C7H7N3O2/c8-6(7(11)12)3-5-1-2-9-4-10-5/h1-4H,8H2,(H,11,12)/b6-3-
InChIKey BMIKJCRKUFPLOD-UTCJRWHESA-N
Molecular Weight 165.152 g/mol
SMILES OC(\C(=C\c1ncncc1)N)=O
SPLASH splash10-00di-0900000000-acc0855388a1a8b6e029
Source of Spectrum J-59-508-2
Wiley ID 1161235