Dataset

139557-96-3.c13

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

• 139557-96-3.c13HTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p1.s1.d1
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:43:31.794814
MetadataModified	2024-09-23T09:35:24.568504
MetadataPublished	2022-10-27 12:43:59

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm Multinuclear inverse Z-grad Z8255/0040 Temperature : 298 K magnetic field strength : 7.047530271949235 Tesla number of scans : 256 scans nuclear magnetic resonance pulse sequence : zgdc30 Spectral Width : 240.023590140204 number of data points : 16384 points relaxation time measurement : 3 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.