Dataset

(2-iodo-5-methoxyphenyl)methanol[7]

This dataset contains NMR spectra obtained for the sample containing (2-iodo-5-methoxyphenyl)methanol

Chemical Information

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

(2-iodo-5-methoxyphenyl)methanol[7]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p26.s1341.d5924
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5924
Version
Author	Javier Ruiz, Ainhoa Ardeo, Roberto Ignacio, Nuria Sotomayor, Esther Lete
Maintainer
Language	english
MetadataPublished	2025-09-13T18:50:40.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond 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', '09'] Temperature : [298, 300] K magnetic field strength : 7.049031783010506 Tesla number of scans : [8, 16] scans nuclear magnetic resonance pulse sequence : ['hmbcgplpndqf', None] Spectral Width : [7.49072374409565, 129.990492804663] number of data points : [1024, 256] points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
8824014	surechembl
11076301	pubchem
Molport-051-764-363	molport
The data in this table is sourced from UniChem at EBI.