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(R)-Monoethyl 2-methyl-2-(4'-chloro-2'-nitrophenoxy)malonate
SpectraBase Compound ID 7FwTaePJ7fj
InChI InChI=1S/C12H12ClNO7/c1-3-20-11(17)12(2,10(15)16)21-9-5-4-7(13)6-8(9)14(18)19/h4-6H,3H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKey OWBMRVXZLANGMT-GFCCVEGCSA-N
Mol Weight 317.68 g/mol
Molecular Formula C12H12ClNO7
Exact Mass 317.030229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hvd0I4T4QnR
Name (R)-Monoethyl 2-methyl-2-(4'-chloro-2'-nitrophenoxy)malonate
Comments Less than 3 mono-isotopic peaks
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Formula C12H12ClNO7
InChI InChI=1S/C12H12ClNO7/c1-3-20-11(17)12(2,10(15)16)21-9-5-4-7(13)6-8(9)14(18)19/h4-6H,3H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKey OWBMRVXZLANGMT-GFCCVEGCSA-N
Molecular Weight 317.681 g/mol
SMILES OC([C@@](Oc1c(N(=O)=O)cc(cc1)Cl)(C(=O)OCC)C)=O
SPLASH splash10-001i-0901000000-062424432480fe6bbd95
Source of Spectrum QC-8-432-3
Synonyms (2R)-2-(4-chloro-2-nitrophenoxy)-3-ethoxy-2-methyl-3-oxopropanoic acid
Wiley ID 869738