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Glutaric acid, 2-methylhex-3-yl 3-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylhex-3-yl 3-nitrobenzyl ester
SpectraBase Compound ID FW4IDiczCzt
InChI InChI=1S/C19H27NO6/c1-4-7-17(14(2)3)26-19(22)11-6-10-18(21)25-13-15-8-5-9-16(12-15)20(23)24/h5,8-9,12,14,17H,4,6-7,10-11,13H2,1-3H3
InChIKey RVVZWLXMRHQYTK-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C19H27NO6
Exact Mass 365.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kx0CS16ERy
Name Glutaric acid, 2-methylhex-3-yl 3-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.183837587 u
Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-4-7-17(14(2)3)26-19(22)11-6-10-18(21)25-13-15-8-5-9-16(12-15)20(23)24/h5,8-9,12,14,17H,4,6-7,10-11,13H2,1-3H3
InChIKey RVVZWLXMRHQYTK-UHFFFAOYSA-N
Molecular Weight 365.426 g/mol
SMILES C(OCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OC(CCC)C(C)C)=O