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2,3-Dihydroxy-3-{3'-[3''-(trifluoromethyl)diazirin-3''-yl]phenyl}-propionic acid
SpectraBase Compound ID 8NsRbenyYt2
InChI InChI=1S/C11H9F3N2O4/c12-11(13,14)10(15-16-10)6-3-1-2-5(4-6)7(17)8(18)9(19)20/h1-4,7-8,17-18H,(H,19,20)
InChIKey LCHNCWLQJRIRJU-UHFFFAOYSA-N
Mol Weight 290.2 g/mol
Molecular Formula C11H9F3N2O4
Exact Mass 290.051441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUQHg2dN8bJ
Name 2,3-Dihydroxy-3-{3'-[3''-(trifluoromethyl)diazirin-3''-yl]phenyl}-propionic acid
Alternate Name(s) 2,3-Dihydroxy-3-{3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}propanoic acid
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Formula C11H9F3N2O4
InChI InChI=1S/C11H9F3N2O4/c12-11(13,14)10(15-16-10)6-3-1-2-5(4-6)7(17)8(18)9(19)20/h1-4,7-8,17-18H,(H,19,20)
InChIKey LCHNCWLQJRIRJU-UHFFFAOYSA-N
Molecular Weight 290.198 g/mol
SMILES OC(C(C(c1cc(C2(N=N2)C(F)(F)F)ccc1)O)O)=O
SPLASH splash10-000i-0940000000-ca699e18b4b3c62a8a8c
Source of Spectrum U-1992-881-8
Wiley ID 764225