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Glutaric acid, pentyl 3-methoxy-4-nitrobenzyl ester
SpectraBase Compound ID 1jb87BkR9EW
InChI InChI=1S/C18H25NO7/c1-3-4-5-11-25-17(20)7-6-8-18(21)26-13-14-9-10-15(19(22)23)16(12-14)24-2/h9-10,12H,3-8,11,13H2,1-2H3
InChIKey NYBSFXJZUROIIY-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 Fp2okxlno3T
Name Glutaric acid, pentyl 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/c1-3-4-5-11-25-17(20)7-6-8-18(21)26-13-14-9-10-15(19(22)23)16(12-14)24-2/h9-10,12H,3-8,11,13H2,1-2H3
InChIKey NYBSFXJZUROIIY-UHFFFAOYSA-N
Molecular Weight 367.398 g/mol
SMILES C(OCC1=CC=C(C(=C1)OC)N(=O)=O)(=O)CCCC(OCCCCC)=O