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(S)-(+)-4-(2,4-Dinitrobenzyl).gamma.-valerolactone
SpectraBase Compound ID 3XyvrTrBlhc
InChI InChI=1S/C12H12N2O6/c1-12(5-4-11(15)20-12)7-8-2-3-9(13(16)17)6-10(8)14(18)19/h2-3,6H,4-5,7H2,1H3
InChIKey HCGMYYSAMKQSFX-UHFFFAOYSA-N
Mol Weight 280.24 g/mol
Molecular Formula C12H12N2O6
Exact Mass 280.069536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dDJaTWeh7I
Name (S)-(+)-4-(2,4-Dinitrobenzyl).gamma.-valerolactone
CAS Registry Number 61520-95-4
Comments reassigned
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Formula C12H12N2O6
InChI InChI=1S/C12H12N2O6/c1-12(5-4-11(15)20-12)7-8-2-3-9(13(16)17)6-10(8)14(18)19/h2-3,6H,4-5,7H2,1H3
InChIKey HCGMYYSAMKQSFX-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference W.H. Pirkle, D.L. Sikkenga, J. Org. Chem. 42, 1370 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid