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Succinic acid, hexyl 3-methoxy-4-nitrobenzyl ester
SpectraBase Compound ID 7grBn5FVvcB
InChI InChI=1S/C18H25NO7/c1-3-4-5-6-11-25-17(20)9-10-18(21)26-13-14-7-8-15(19(22)23)16(12-14)24-2/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKey INERTLNETKWWAT-UHFFFAOYSA-N
Mol Weight 367.4 g/mol
Molecular Formula C18H25NO7
Exact Mass 367.163102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AoYQNbAcka
Name Succinic acid, hexyl 3-methoxy-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.163102142 u
Formula C18H25NO7
InChI InChI=1S/C18H25NO7/c1-3-4-5-6-11-25-17(20)9-10-18(21)26-13-14-7-8-15(19(22)23)16(12-14)24-2/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKey INERTLNETKWWAT-UHFFFAOYSA-N
Molecular Weight 367.398 g/mol
SMILES C(CCC(OCC=1C=C(C(=CC1)N(=O)=O)OC)=O)(OCCCCCC)=O