Dataset

OH-AMINE PURE.1d

Chemical Info

InChI	InChI=1S/C15H17NO2/c16-9-8-12-6-7-15(14(17)10-12)18-11-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11,16H2
SMILES	NCCC1=CC(O)=C(OCC2=CC=CC=C2)C=C1
InChI Key	VEOXVIUXSFRYTN-UHFFFAOYSA-N
Molecular Formula	C15H17NO2
Exact Mass	243.300 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p21.s155.d693
License URL
Source	https://nmrxiv.org/D693
Version
Author	Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:04:14.941736
MetadataModified	2024-09-23T09:31:30.511576
MetadataPublished	2023-11-23 22:29:51

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003 Temperature : 298.2 K magnetic field strength : 11.743848685759856 Tesla number of scans : 2048 scans nuclear magnetic resonance pulse sequence : zgpg Spectral Width : 238.768728992791 number of data points : 72068 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
561086	PubChem
DTXSID30340042	EPA CompTox Dashboard
ZINC000065734638	ZINC
31592071	eMolecules
The data in this table is sourced from UniChem at EBI.