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Glutaric acid, butyl 4-nitrobenzyl ester
SpectraBase Compound ID ALsqeTVfbZF
InChI InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)5-4-6-16(19)23-12-13-7-9-14(10-8-13)17(20)21/h7-10H,2-6,11-12H2,1H3
InChIKey AKALDSUGBFSLAE-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ho9ooq95S1T
Name Glutaric acid, butyl 4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 323.136887394 u
Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)5-4-6-16(19)23-12-13-7-9-14(10-8-13)17(20)21/h7-10H,2-6,11-12H2,1H3
InChIKey AKALDSUGBFSLAE-UHFFFAOYSA-N
Molecular Weight 323.345 g/mol
SMILES C(OCC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCCCC)=O