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3-pentanol, 3,5-dinitrobenzoate

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3-pentanol, 3,5-dinitrobenzoate
SpectraBase Compound ID 4eKYLT7ncUk
InChI InChI=1S/C12H14N2O6/c1-3-11(4-2)20-12(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7,11H,3-4H2,1-2H3
InChIKey XCFUOXLGQPIUEG-UHFFFAOYSA-N
Mol Weight 282.25 g/mol
Molecular Formula C12H14N2O6
Exact Mass 282.085186 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5UoL9Nk1V3I
Name 3-PENTANOL, 3,5-DINITROBENZOATE
Source of Sample Eli Lilly & Company, Indianapolis, Indiana
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O6
InChI InChI=1S/C12H14N2O6/c1-3-11(4-2)20-12(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7,11H,3-4H2,1-2H3
InChIKey XCFUOXLGQPIUEG-UHFFFAOYSA-N
Melting Point 99C
Molecular Weight 282.26
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 3,5-DINITRO-, 1-ETHYLPROPYL ESTER