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3-phenyl-1-propanol, 3,5-dinitrobenzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

3-phenyl-1-propanol, 3,5-dinitrobenzoate
SpectraBase Compound ID FB8HVBAAXWt
InChI InChI=1S/C16H14N2O6/c19-16(24-8-4-7-12-5-2-1-3-6-12)13-9-14(17(20)21)11-15(10-13)18(22)23/h1-3,5-6,9-11H,4,7-8H2
InChIKey KKAOBVCLMRBXSA-UHFFFAOYSA-N
Mol Weight 330.3 g/mol
Molecular Formula C16H14N2O6
Exact Mass 330.085186 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZNW3gEbXsB
Name 3-phenyl-1-propanol, 3,5-dinitrobenzoate
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O6
InChI InChI=1S/C16H14N2O6/c19-16(24-8-4-7-12-5-2-1-3-6-12)13-9-14(17(20)21)11-15(10-13)18(22)23/h1-3,5-6,9-11H,4,7-8H2
InChIKey KKAOBVCLMRBXSA-UHFFFAOYSA-N
Instrument Name Varian A-60
Optical Properties Index of Refraction= (20C) 1.4702
Sadtler NMR Number 6429M
Solvent CDCl3
Synonyms 1-PROPANOL, 3-PHENYL-, 3,5-DINITRO- BENZOATE 3-PHENYL-1-PROPANOL, 3,5-DINITROBENZOATE BENZOIC ACID, 3,5-DINITRO-, 3-PHENYLPROPYL ESTER