Dataset

Chlorophyll-1.aptjmod

Chemical Information

molecular Image
InChI InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37-,41-,51+;/m1./s1
SMILES C=CC1=C2/C=C3\N=C(/C=C4/C(C)=C5C(=O)[C@@H](C(=O)OC)C6=C5N4[Mg]N2C(=C1C)/C=C1\N=C6[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]1C)C(CC)=C3C
InChI Key ATNHDLDRLWWWCB-WFJQZQDESA-M

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p24.s177.d748
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D748
Version
Author Anne Klaproth, Maria Najdanova, Prof. Mirjana Minceva, 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 13:37:01
Related Molecule
  • nfdi4chem-mol9407 (Unknown Molecule)
    • Field Value
    Measurement Technique a
    Measurement Variables
    NMR solvent : THF

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm TBI 1H/13C-BB Z-GRD Z5714/0002

    Temperature : 294.7 K

    magnetic field strength : 16.441341131547752 Tesla

    number of scans : 28899 scans

    nuclear magnetic resonance pulse sequence : aptsp.ber

    Spectral Width : 249.087167513696

    number of data points : 37 points

    relaxation time measurement : 2 seconds

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