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Methyl 2-diazo-3-oxo-6-(4-methoxyphenyl)-4-propylhexanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 2-diazo-3-oxo-6-(4-methoxyphenyl)-4-propylhexanoate
SpectraBase Compound ID 4Hjo9UZfq4P
InChI InChI=1S/C17H22N2O4/c1-4-5-13(16(20)15(19-18)17(21)23-3)9-6-12-7-10-14(22-2)11-8-12/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKey AVMLZUPMAIZQOX-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hcrly8Mjdy
Name Methyl 2-diazo-3-oxo-6-(4-methoxyphenyl)-4-propylhexanoate
Comments Computed using HOSE algorithm
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Exact Mass 318.157957192 u
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-4-5-13(16(20)15(19-18)17(21)23-3)9-6-12-7-10-14(22-2)11-8-12/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKey AVMLZUPMAIZQOX-UHFFFAOYSA-N
Molecular Weight 318.373 g/mol
SMILES C(=[N+]=[N-])(C(=O)C(CCC1=CC=C(C=C1)OC)CCC)C(=O)OC