Dataset

Ibuprofen.dept

Ibuprofen

Chemical Info

molecular Image
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

Metadata Information

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