Dataset

2216-51-5.jmod

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

• 2216-51-5.jmodHTML
  Explore

  • More information
  • Go to resource

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p10.s59.d261
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D261
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:31:27.049974
MetadataModified	2024-09-23T09:34:17.732756
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	jmod
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm BBO BB-1H/D Z-GRD Z8478/0071 Temperature : 298 K magnetic field strength : 14.09365155611028 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : jmod Spectral Width : 90.02369570303 number of data points : 65536 points relaxation time measurement : 3 seconds

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