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methyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
SpectraBase Compound ID AzzAUMPZwtP
InChI InChI=1S/C15H17NO4/c1-20-13(17)9-3-2-6-10-16-14(18)11-7-4-5-8-12(11)15(16)19/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKey WSCDTSMHMCDXAI-UHFFFAOYSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UBY2Sx3p5s
Name Methyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
Comments Computed using HOSE algorithm
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Exact Mass 275.115758027 u
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-20-13(17)9-3-2-6-10-16-14(18)11-7-4-5-8-12(11)15(16)19/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKey WSCDTSMHMCDXAI-UHFFFAOYSA-N
SMILES C1=2C=CC=CC2C(N(C1=O)CCCCCC(OC)=O)=O