Dataset

Friedelin.cosy

Chemical Information

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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p37.s229.d1321
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1321
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
MetadataPublished 2023-12-21 15:52:25
Related Molecule
  • nfdi4chem-mol7807 (Unknown Molecule)
    • Field Value
    Measurement Technique correlation spectroscopy
    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 : cosygpmfph

    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.