Dataset

196793-29-0.dept

NMR datasets for 196793-29-0

Chemical Info

molecular Image
InChI InChI=1S/C18H25NO3/c1-9-4-7-13-12(8-9)6-5-10(2)14(13)17(21)15-16(20)11(3)19-18(15)22/h5-6,9-14,20H,4,7-8H2,1-3H3,(H,19,22)
SMILES CC1CCC2C(C=CC(C)C2C(=O)C2=C(O)C(C)NC2=O)C1
InChI Key AJWRDTYJALCPNP-UHFFFAOYSA-N
Molecular Formula C18H25NO3
Exact Mass 303.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p11.s71.d414
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D414
Version
Author Schüffler A, Kautz D, Liermann JC, Opatz T, Anke T.
Maintainer
Language english
MetadataCreated 2024-04-22T15:25:46.946716
MetadataModified 2024-09-23T09:27:20.118217
MetadataPublished 2022-10-29 10:40:50
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 BBO BB-1H/D Z-GRD Z8248/0157

Temperature : 294.4 K

magnetic field strength : 9.402499088445929 Tesla

number of scans : 3600 scans

nuclear magnetic resonance pulse sequence : dept135

Spectral Width : 238.723839890122

number of data points : 32768 points

relaxation time measurement : 2 seconds

Data-Source Molecule ID Data-Source
14898543 PubChem: Thomson Pharma
CA0E3T9ZZ3 FDA SRS
The data in this table is sourced from UniChem at EBI.