Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)32-15-9-8-14-25(29(36)37)33-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,32H,8-9,14-18H2,1-3H3,(H,33,38)(H,36,37)/t25-/m1/s1
SMILES O=C(N[C@@H](C(=O)O)CCCCNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
InChI Key ZPSRBXWVBNVFTO-RUZDIDTESA-N
Molecular Formula C31H36N2O6
Exact Mass 532.627 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZPSRBXWVBNVFTO-RUZDIDTESA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ZPSRBXWVBNVFTO-RUZDIDTESA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • (2R)-6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : SVS-CC05209

    date : 20240305

    starting time : 5.46 h

    label : SVS-2869

    id : 297911

    Solvent : MeOD

    temperature : 300.0 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    477391 eMolecules
    CB02640516 ChemicalBook
    ZINC000100233372 ZINC
    SCHEMBL19708205 SureChEMBL
    The data in this table is sourced from UniChem at EBI.