Dataset

Friedelin.noesy

Chemical Info

molecular Image

InChI	InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22?,23-,24+,26+,27+,28-,29+,30-/m0/s1
SMILES	C[C@H]1C(=O)CCC2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
InChI Key	OFMXGFHWLZPCFL-SEFDVJTRSA-N

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p37.s229.d1323
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1323
Version
Author	Raina Seupel, Alexander Roth, Katrin Steinke, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger
Maintainer
Language	english
MetadataCreated	2024-04-22T15:46:14.511379
MetadataModified	2024-09-23T09:29:21.525434
MetadataPublished	2023-12-21 15:52:25

Field	Value
Measurement Technique	n
Measurement Variables	NMR solvent : CDCl3 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 : 8 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : [2.79956890544815, 2.80003934216558] number of data points : 3 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
60001973	NMRShiftDB
The data in this table is sourced from UniChem at EBI.