Dataset

Friedelin.hsqc

Chemical Info

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

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p37.s229.d1322
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1322
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	2024-04-22T15:32:22.737875
MetadataModified	2024-09-23T09:27:55.925148
MetadataPublished	2023-12-21 15:52:25

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 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 magnetic field strength : 14.095010340939984 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp Spectral Width : [2.79956890544815, 80.030556397603] number of data points : 2 points relaxation time measurement : 1 seconds

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