Dataset

Indigo.c13

Chemical Info

InChI	InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
SMILES	O=C1/C(=C2\NC3=C(C=CC=C3)C2=O)NC2=C1C=CC=C2
InChI Key	COHYTHOBJLSHDF-BUHFOSPRSA-N
Molecular Formula	C16H10N2O2
Exact Mass	262.260 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.57992/nmrxiv.p42.s251.d1455
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1455
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:53:01.896533
MetadataModified	2024-09-23T09:30:01.580313
MetadataPublished	2023-12-24 21:57:47

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 CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 300 K magnetic field strength : 16.440636731038314 Tesla number of scans : 16384 scans nuclear magnetic resonance pulse sequence : zgdc Spectral Width : 210.354545069334 number of data points : 17 points relaxation time measurement : 2 seconds