Dataset

4-(1-Hydroxyethyl)benzoic acid isopropylester.cosy

4-(1-Hydroxyethyl)benzoic acid isopropylester

Chemical Info

molecular Image
InChI InChI=1S/C12H16O3/c1-8(2)15-12(14)11-6-4-10(5-7-11)9(3)13/h4-9,13H,1-3H3
SMILES CC(C)OC(=O)C1=CC=C(C(C)O)C=C1
InChI Key XLJDPAYYVIVVLW-UHFFFAOYSA-N
Molecular Formula C12H16O3
Exact Mass 208.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p9.s53.d210
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D210
Version
Author
Maintainer
Language english
MetadataCreated 2024-04-22T16:38:58.500720
MetadataModified 2024-09-23T09:34:55.479895
MetadataPublished 2022-10-28 13:22:44
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H', '1H']

NMR spectrum by dimensionality : 2

NMR probe : 5 mm DUL 13C-1H/2H Z-GRD Z8246/00076

Temperature : 294.1 K

magnetic field strength : 9.397926179034085 Tesla

number of scans : 4 scans

nuclear magnetic resonance pulse sequence : cosygpqf

Spectral Width : [7.76122231599085, 7.76122231599085]

number of data points : 16 points

relaxation time measurement : 1.36729 seconds

Data-Source Molecule ID Data-Source
85373555 PubChem
J3.294.213J Nikkaji
The data in this table is sourced from UniChem at EBI.