Dataset

4-2-2-2-trifluoroethoxy-benzenamine.hmqc

Chemical Info

molecular Image
InChI InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
SMILES NC1=CC=C(OCC(F)(F)F)C=C1
InChI Key OXFDNUZWKFKMSB-UHFFFAOYSA-N
Molecular Formula C8H8F3NO
Exact Mass 191.150 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p50.s270.d1582
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1582
Version
Author Doura Tomohiro, An Qi, Sugihara Fuminori, Matsuda Tetsuya, Sando Shinsuke
Maintainer
Language english
MetadataCreated 2024-04-22T15:36:58.376603
MetadataModified 2024-04-22T15:36:58.376608
MetadataPublished 2023-12-26 22:12:24
Field Value
Measurement Technique heteronuclear multiple quantum coherence
Measurement Variables
NMR solvent : DMSO

acquisition nucleus : 1H , 13C

NMR spectrum by dimensionality : 2

NMR probe : 5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003 , None

Temperature : [298.3, 300] K

irradiation frequency : 600.2 MHz , 150.92041 MHz

magnetic field strength : 14.096654402599738 Tesla

number of scans : [8, 1] scans

nuclear magnetic resonance pulse sequence : hmqcgpqf , zg30

Spectral Width : 9.68664805551337 , 200.013327619475

number of data points : 11 points

relaxation time measurement : 1.8 seconds