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Glutaric acid (4,5-dimethoxy-2-nitrobenzyl) ester (4-chloro-2-nitrobenzyl-a,a-D2) ester
SpectraBase Compound ID CqYKBwLl5ev
InChI InChI=1S/C21H21ClN2O10/c1-31-18-8-14(17(24(29)30)10-19(18)32-2)12-34-21(26)5-3-4-20(25)33-11-13-6-7-15(22)9-16(13)23(27)28/h6-10H,3-5,11-12H2,1-2H3/i11D2
InChIKey YJNCLBSITSBCCM-ZWGOZCLVSA-N
Mol Weight 498.87 g/mol
Molecular Formula C21H19D2ClN2O10
Exact Mass 498.101026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFguLfeOxnx
Name Glutaric acid (4,5-dimethoxy-2-nitrobenzyl) ester (4-chloro-2-nitrobenzyl-a,a-D2) ester
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Formula C21H19D2ClN2O10
InChI InChI=1S/C21H21ClN2O10/c1-31-18-8-14(17(24(29)30)10-19(18)32-2)12-34-21(26)5-3-4-20(25)33-11-13-6-7-15(22)9-16(13)23(27)28/h6-10H,3-5,11-12H2,1-2H3/i11D2
InChIKey YJNCLBSITSBCCM-ZWGOZCLVSA-N
Molecular Weight 498.868 g/mol
SMILES C([D])([D])(OC(CCCC(OCc1c(cc(OC)c(OC)c1)[N+](=O)[O-])=O)=O)c1c(cc(cc1)Cl)[N+](=O)[O-]
SPLASH splash10-0hti-0900000000-af29012d1a8abebef610
Source of Spectrum A1-9-2649/SMS6-3b
Wiley ID 1758202