Dataset

(2-iodo-5-methoxyphenyl)methanol.hmqc

Chemical Info

molecular Image
InChI InChI=1S/C8H9IO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5H2,1H3
SMILES COC1=CC(CO)=C(I)C=C1
InChI Key AYLPYLQTOJCHSH-UHFFFAOYSA-N
Molecular Formula C8H9IO2
Exact Mass 264.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p26.s179.d761
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D761
Version
Author Javier Ruiz, Ainhoa Ardeo, Roberto Ignacio, Nuria Sotomayor, Esther Lete
Maintainer
Language english
MetadataCreated 2024-04-22T15:45:31.831069
MetadataModified 2024-09-23T09:29:10.739108
MetadataPublished 2023-12-21 13:58:43
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 Multinuclear inverse Z-grad Z8255/0040', None]

Temperature : [298, 300] K

magnetic field strength : 7.049031799154046 Tesla

number of scans : [4, 16] scans

nuclear magnetic resonance pulse sequence : ['hmqcgpqf', None]

Spectral Width : [7.49072374409565, 124.994591578061]

number of data points : 3 points

relaxation time measurement : 1.5 seconds

Data-Source Molecule ID Data-Source
11076301 PubChem
16145660 PubChem: Thomson Pharma
SCHEMBL8824014 SureChEMBL
40132832 NMRShiftDB
J1.820.001E Nikkaji
The data in this table is sourced from UniChem at EBI.