John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HKnHGyolEZI SpectraBase Spectrum ID=10LoqEPHjRi

(accessed ).
2-(TERT.-BUTOXYCARBONYLAMINO)-ETHYL-BIS-(2-ISOTHIOCYANATOETHYL)-AMINE
SpectraBase Compound ID HKnHGyolEZI
InChI InChI=1S/C13H22N4O2S2/c1-13(2,3)19-12(18)16-6-9-17(7-4-14-10-20)8-5-15-11-21/h4-9H2,1-3H3,(H,16,18)
InChIKey FTYSFMNQENEUEK-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C13H22N4O2S2
Exact Mass 330.11842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10LoqEPHjRi
Name 2-(TERT.-BUTOXYCARBONYLAMINO)-ETHYL-BIS-(2-ISOTHIOCYANATOETHYL)-AMINE
Compound Number 41
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22N4O2S2
InChI InChI=1S/C13H22N4O2S2/c1-13(2,3)19-12(18)16-6-9-17(7-4-14-10-20)8-5-15-11-21/h4-9H2,1-3H3,(H,16,18)
InChIKey FTYSFMNQENEUEK-UHFFFAOYSA-N
Literature Reference Author J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ
Literature Reference Citation J.AM.CHEM.SOC.,126,10355(2004)
Literature Reference DOI 10.1021/ja047864v
Molecular Weight 330.463 g/mol
Sample ID 27901
Solvent CDCl3
SpectraBase Batch ID CWdjRcY3Rda