Dataset

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

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

• (2-iodo-5-methoxyphenyl)methanol.hmbcHTML
  Explore

  • More information
  • Go to resource

• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p26.s179.d762
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D762
Version
Author	Javier Ruiz, Ainhoa Ardeo, Roberto Ignacio, Nuria Sotomayor, Esther Lete
Maintainer
Language	english
MetadataCreated	2024-04-22T15:45:29.280011
MetadataModified	2024-09-23T09:29:12.352575
MetadataPublished	2023-12-21 13:58:43

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 : 7.049031799154046 Tesla number of scans : [8, 16] scans nuclear magnetic resonance pulse sequence : ['hmbcgplpndqf', None] Spectral Width : [7.49072374409565, 129.990492804663] number of data points : 4 points relaxation time measurement : 1.5 seconds

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