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Glutaric acid, 3-methyl-4-nitrobenzyl undecyl ester
SpectraBase Compound ID J184jywTpjk
InChI InChI=1S/C24H37NO6/c1-3-4-5-6-7-8-9-10-11-17-30-23(26)13-12-14-24(27)31-19-21-15-16-22(25(28)29)20(2)18-21/h15-16,18H,3-14,17,19H2,1-2H3
InChIKey SHNQLXDIORCKBZ-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C24H37NO6
Exact Mass 435.262088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91T2uNPoA0d
Name Glutaric acid, 3-methyl-4-nitrobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.262087909 u
Formula C24H37NO6
InChI InChI=1S/C24H37NO6/c1-3-4-5-6-7-8-9-10-11-17-30-23(26)13-12-14-24(27)31-19-21-15-16-22(25(28)29)20(2)18-21/h15-16,18H,3-14,17,19H2,1-2H3
InChIKey SHNQLXDIORCKBZ-UHFFFAOYSA-N
Molecular Weight 435.561 g/mol
SMILES C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCCCCCC)=O