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Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester
SpectraBase Compound ID IZP3q2Ox9L
InChI InChI=1S/C17H23NO6/c1-4-14(12(2)3)23-16(19)10-7-11-17(20)24-15-9-6-5-8-13(15)18(21)22/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3
InChIKey DZLFJRQADCQERT-UHFFFAOYSA-N
Mol Weight 337.37 g/mol
Molecular Formula C17H23NO6
Exact Mass 337.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlifzFfU1Ot
Name Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.152537459 u
Formula C17H23NO6
InChI InChI=1S/C17H23NO6/c1-4-14(12(2)3)23-16(19)10-7-11-17(20)24-15-9-6-5-8-13(15)18(21)22/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3
InChIKey DZLFJRQADCQERT-UHFFFAOYSA-N
Molecular Weight 337.372 g/mol
SMILES C(CCC(OC(CC)C(C)C)=O)C(OC=1C=CC=CC1N(=O)=O)=O