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2-(HYDROXYMETHYL)-2-NITRO-1,3-PROPYLENE-DITRIFLATE
SpectraBase Compound ID 9XP671mrpwj
InChI InChI=1S/C6H7F6NO9S2/c7-5(8,9)23(17,18)21-2-4(1-14,13(15)16)3-22-24(19,20)6(10,11)12/h14H,1-3H2
InChIKey OBEDGJMIGKZYQQ-UHFFFAOYSA-N
Mol Weight 415.23 g/mol
Molecular Formula C6H7F6NO9S2
Exact Mass 414.946642 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99l0Pm8m8PJ
Name 2-(HYDROXYMETHYL)-2-NITRO-1,3-PROPYLENE-DITRIFLATE
CAS Registry Number 75247-60-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7F6NO9S2
InChI InChI=1S/C6H7F6NO9S2/c7-5(8,9)23(17,18)21-2-4(1-14,13(15)16)3-22-24(19,20)6(10,11)12/h14H,1-3H2
InChIKey OBEDGJMIGKZYQQ-UHFFFAOYSA-N
Literature Reference Author P.T.BERKOWITZ,K.BAUM
Literature Reference Citation J.ORG.CHEM.,45,4853(1980)
Literature Reference DOI 10.1021/jo01312a010
Solvent CDCl3
Source File Reference UWPS1323