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Benzoic acid, 3-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-
SpectraBase Compound ID KhYxCZjN5qb
InChI InChI=1S/C14H13NO6/c1-14(2)20-12(18)10(13(19)21-14)7-15-9-5-3-4-8(6-9)11(16)17/h3-7,15H,1-2H3,(H,16,17)
InChIKey XHBNGNQWPGQHQH-UHFFFAOYSA-N
Mol Weight 291.26 g/mol
Molecular Formula C14H13NO6
Exact Mass 291.074287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUfxPH7LOHr
Name Benzoic acid, 3-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-
Comments Computed using HOSE algorithm
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Exact Mass 291.074287137 u
Formula C14H13NO6
InChI InChI=1S/C14H13NO6/c1-14(2)20-12(18)10(13(19)21-14)7-15-9-5-3-4-8(6-9)11(16)17/h3-7,15H,1-2H3,(H,16,17)
InChIKey XHBNGNQWPGQHQH-UHFFFAOYSA-N
Molecular Weight 291.259 g/mol
SMILES N(C=C1C(OC(OC1=O)(C)C)=O)C=1C=C(C(=O)O)C=CC1