Dataset

Ibuprofen.dept

Chemical Info

InChI	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
SMILES	CC(C)CC1=CC=C(C(C)C(=O)O)C=C1
InChI Key	HEFNNWSXXWATRW-UHFFFAOYSA-N
Molecular Formula	C13H18O2
Exact Mass	206.280 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.57992/nmrxiv.p9.s51.d186
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D186
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:31:00.617720
MetadataModified	2024-09-23T09:34:15.464103
MetadataPublished	2022-10-28 13:22:44

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm QNP 1H/15N/13C/31P Z3329/28 Temperature : 298 K magnetic field strength : 11.737738714060114 Tesla number of scans : 256 scans nuclear magnetic resonance pulse sequence : dept90 Spectral Width : 243.273922225697 number of data points : 65536 points relaxation time measurement : 2 seconds