Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/2C14H22N4.2CHF3O3S.Zn/c2*1-17(2)14(18(3)4)16-12-9-5-7-11-8-6-10-15-13(11)12;2*2-1(3,4)8(5,6)7;/h2*6,8,10,12H,5,7,9H2,1-4H3;2*(H,5,6,7);/q;;;;+2/p-2
SMILES FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CN(C(=NC1CCCc2c1nccc2)N(C)C)C.CN(C(=NC1CCCc2c1nccc2)N(C)C)C.[Zn+2]
InChI Key LGSDFUJUBGCHIW-UHFFFAOYSA-L
Molecular Formula C30H44F6N8O6S2Zn
Exact Mass 856.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LGSDFUJUBGCHIW-UHFFFAOYSA-L/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LGSDFUJUBGCHIW-UHFFFAOYSA-L/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-07-14
Related Molecule
  • zinc;1,1,3,3-tetramethyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)guanidine;trifluoromethanesulfonate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164510638 PubChem
    The data in this table is sourced from UniChem at EBI.