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2-Nitro-3-phenyl-1,3-butanediol

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2-Nitro-3-phenyl-1,3-butanediol
SpectraBase Compound ID 2hk72OSe4TY
InChI InChI=1S/C10H13NO4/c1-10(13,9(7-12)11(14)15)8-5-3-2-4-6-8/h2-6,9,12-13H,7H2,1H3
InChIKey NWRBCGMXRLGXPK-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C10H13NO4
Exact Mass 211.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DY1Vj5IsMYQ
Name 1-Methyl-2-nitro-1-phenyl-1,3-propanediol
CAS Registry Number 96040-20-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H13NO4
InChI InChI=1S/C10H13NO4/c1-10(13,9(7-12)11(14)15)8-5-3-2-4-6-8/h2-6,9,12-13H,7H2,1H3
InChIKey NWRBCGMXRLGXPK-UHFFFAOYSA-N
Literature Reference M. Eyer, D. Seebach, J. Am. Chem. Soc. 107, 3601 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6