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(R)-Monomethyl 2-methyl-2-(4'-methoxy-2'-nitrophenoxy)malonate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(R)-Monomethyl 2-methyl-2-(4'-methoxy-2'-nitrophenoxy)malonate
SpectraBase Compound ID JqZak4kutH7
InChI InChI=1S/C12H13NO8/c1-12(10(14)15,11(16)20-3)21-9-5-4-7(19-2)6-8(9)13(17)18/h4-6H,1-3H3,(H,14,15)/t12-/m1/s1
InChIKey ZBGLXJPZFZEDSV-GFCCVEGCSA-N
Mol Weight 299.24 g/mol
Molecular Formula C12H13NO8
Exact Mass 299.064116 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Izgy8N0xDC
Name (R)-Monomethyl 2-methyl-2-(4'-methoxy-2'-nitrophenoxy)malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.064116375 u
Formula C12H13NO8
InChI InChI=1S/C12H13NO8/c1-12(10(14)15,11(16)20-3)21-9-5-4-7(19-2)6-8(9)13(17)18/h4-6H,1-3H3,(H,14,15)/t12-/m1/s1
InChIKey ZBGLXJPZFZEDSV-GFCCVEGCSA-N
SMILES [C@](OC=1C([N+]([O-])=O)=CC(=CC1)OC)(C(=O)O)(C(=O)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972454