Dataset

2759-55-9.dept

2759-55-9

Chemical Info

molecular Image
InChI InChI=1S/C10H13NO/c1-3-10(12)11-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
SMILES CCC(=O)NC1=CC=C(C)C=C1
InChI Key XWSRKIHDBLVVQU-UHFFFAOYSA-N
Molecular Formula C10H13NO
Exact Mass 163.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s61.d285
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D285
Version
Author
Maintainer
Language english
MetadataCreated 2024-04-22T16:40:16.666274
MetadataModified 2024-09-23T09:35:04.563295
MetadataPublished 2022-10-28 13:30:58
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 BBI 1H-BB-D Z-GRD LTB Z5542/0003

Temperature : 300 K

magnetic field strength : 11.74384401652673 Tesla

number of scans : 512 scans

nuclear magnetic resonance pulse sequence : dept135

Spectral Width : 199.274224510287

number of data points : 65536 points

relaxation time measurement : 3 seconds