Dataset

Cnicin.noesy

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

• Cnicin.noesyHTML
  Explore

  • More information
  • Go to resource

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p42.s237.d1364
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1364
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:11:06.242276
MetadataModified	2024-09-23T09:32:09.944395
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	n
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 300 K magnetic field strength : 14.095010340939984 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : noesyph Spectral Width : [10.0138089073298, 9.99878669174724] number of data points : 4 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.