Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H17ClF3N3/c1-8(2)20(9(3)4)19-18-12-6-5-10(14)7-11(12)13(15,16)17/h5-9H,1-4H3/b19-18+
SMILES Clc1ccc(c(c1)C(F)(F)F)/N=N/N(C(C)C)C(C)C
InChI Key SGDPMLRDHWSDTB-VHEBQXMUSA-N
Molecular Formula C13H17ClF3N3
Exact Mass 307.742 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SGDPMLRDHWSDTB-VHEBQXMUSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/SGDPMLRDHWSDTB-VHEBQXMUSA-N/NMR/1H/CDCl3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:36:52.364004
MetadataModified 2024-09-07T12:51:41.620857
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J3.081.919E Nikkaji
The data in this table is sourced from UniChem at EBI.