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Succinic acid, 2-methylhex-3-yl 2-(3-nitrophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-methylhex-3-yl 2-(3-nitrophenyl)ethyl ester
SpectraBase Compound ID 59rKWPwq5Ib
InChI InChI=1S/C19H27NO6/c1-4-6-17(14(2)3)26-19(22)10-9-18(21)25-12-11-15-7-5-8-16(13-15)20(23)24/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3
InChIKey NPCPBYTWGKCAHX-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 zF1hBovhRL
Name Succinic acid, 2-methylhex-3-yl 2-(3-nitrophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.183837587 u
Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-4-6-17(14(2)3)26-19(22)10-9-18(21)25-12-11-15-7-5-8-16(13-15)20(23)24/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3
InChIKey NPCPBYTWGKCAHX-UHFFFAOYSA-N
Molecular Weight 365.426 g/mol
SMILES C(CCC(OCCC1=CC=CC(=C1)N(=O)=O)=O)(OC(CCC)C(C)C)=O