Dataset

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

Chemical Info

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

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p9.s53.d199
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D199
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Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:32:47.092083
MetadataModified	2024-09-23T09:34:25.664893
MetadataPublished	2022-10-28 13:22:44

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm DUL 13C-1H/2H Z-GRD Z8246/00076 Temperature : 294.6 K magnetic field strength : 9.397926179034085 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3 Spectral Width : [7.76122231599085, 175] number of data points : 19 points relaxation time measurement : 1.86729 seconds

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