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(R)-Monoethyl 2-methyl-2-(4'-methoxy-2'-nitrophenoxy)malonate
SpectraBase Compound ID 3KdVrRmXnkZ
InChI InChI=1S/C13H15NO8/c1-4-21-12(17)13(2,11(15)16)22-10-6-5-8(20-3)7-9(10)14(18)19/h5-7H,4H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKey URPGSUQLDGPNCC-CYBMUJFWSA-N
Mol Weight 313.26 g/mol
Molecular Formula C13H15NO8
Exact Mass 313.079766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGGwh3Jc6a6
Name (R)-Monoethyl 2-methyl-2-(4'-methoxy-2'-nitrophenoxy)malonate
Alternate Name(s) (2R)-3-ethoxy-2-(4-methoxy-2-nitrophenoxy)-2-methyl-3-oxopropanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C13H15NO8
InChI InChI=1S/C13H15NO8/c1-4-21-12(17)13(2,11(15)16)22-10-6-5-8(20-3)7-9(10)14(18)19/h5-7H,4H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKey URPGSUQLDGPNCC-CYBMUJFWSA-N
Molecular Weight 313.262 g/mol
SMILES OC([C@@](Oc1c(N(=O)=O)cc(cc1)OC)(C(=O)OCC)C)=O
SPLASH splash10-014i-0900000000-075f7825683541b2edec
Source of Spectrum QC-8-432-3
Wiley ID 869739