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Succinic acid, decyl 2-nitrobenzyl ester
SpectraBase Compound ID 4gTFT32qX1m
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-11-16-27-20(23)14-15-21(24)28-17-18-12-9-10-13-19(18)22(25)26/h9-10,12-13H,2-8,11,14-17H2,1H3
InChIKey LZSRXCZTWAMWRQ-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C21H31NO6
Exact Mass 393.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cOaHvNRM0c
Name Succinic acid, decyl 2-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.215137716 u
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-11-16-27-20(23)14-15-21(24)28-17-18-12-9-10-13-19(18)22(25)26/h9-10,12-13H,2-8,11,14-17H2,1H3
InChIKey LZSRXCZTWAMWRQ-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES C1=CC=C(C(=C1)N(=O)=O)COC(=O)CCC(OCCCCCCCCCC)=O