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5-[2-(1,3-Benzodioxol-5-ylcarbonyl)hydrazino]-3,3-dimethyl-5-oxopentanoic acid

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5-[2-(1,3-Benzodioxol-5-ylcarbonyl)hydrazino]-3,3-dimethyl-5-oxopentanoic acid
SpectraBase Compound ID Ge1GIN12lPQ
InChI InChI=1S/C15H18N2O6/c1-15(2,7-13(19)20)6-12(18)16-17-14(21)9-3-4-10-11(5-9)23-8-22-10/h3-5H,6-8H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)
InChIKey RTLZMOIVXRYIBG-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C15H18N2O6
Exact Mass 322.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19ZrwMYFum5
Name 5-[2-(1,3-Benzodioxol-5-ylcarbonyl)hydrazino]-3,3-dimethyl-5-oxopentanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 322.116486302 u
Formula C15H18N2O6
InChI InChI=1S/C15H18N2O6/c1-15(2,7-13(19)20)6-12(18)16-17-14(21)9-3-4-10-11(5-9)23-8-22-10/h3-5H,6-8H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)
InChIKey RTLZMOIVXRYIBG-UHFFFAOYSA-N
Molecular Weight 322.317 g/mol
SMILES N(C(C1=CC=2OCOC2C=C1)=O)NC(CC(CC(=O)O)(C)C)=O