Dataset

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

Chemical Info

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

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Metadata Information

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• Molecule Data-Sources

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.