Dataset

2216-51-5.noesy

Chemical Info

InChI	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8?,9-,10?/m0/s1
SMILES	CC1CC[C@@H](C(C)C)C(O)C1
InChI Key	NOOLISFMXDJSKH-KYHHOPLUSA-N
Molecular Formula	C10H20O
Exact Mass	156.260 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p10.s59.d262
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D262
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:41:45.225021
MetadataModified	2024-09-23T09:28:52.464825
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	noesy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm BBO BB-1H/D Z-GRD Z8478/0071 Temperature : 298 K magnetic field strength : 14.096654402599738 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : [5.70064141487484, 5.70064160192714] number of data points : [2048, 141] points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
SCHEMBL12646785	SureChEMBL
12285349	PubChem
MolPort-003-960-022	MolPort
The data in this table is sourced from UniChem at EBI.