Dataset

Cnicin.hsqc

Chemical Info

InChI	InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8+/t15-,16+,17+,18+/m1/s1
SMILES	C=C1C(=O)O[C@H]2/C=C(/CO)CC/C=C(/C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]12
InChI Key	ZTDFZLVUIVPZDU-NRSQRZTFSA-N

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.57992/nmrxiv.p42.s237.d1365
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1365
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:11:08.765538
MetadataModified	2024-04-22T16:11:08.765543
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 300 K irradiation frequency : 600.13 MHz , 150.902809 MHz magnetic field strength : 14.095010340939984 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hsqcedetgp Spectral Width : 8.01105513688132 , 169.903042289205 number of data points : 5 points relaxation time measurement : 2 seconds