Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C20H32N2O6/c23-17(11-13-19(25)26)21-15-9-7-5-3-1-2-4-6-8-10-16-22-18(24)12-14-20(27)28/h11-14H,1-10,15-16H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b13-11-,14-12-
SMILES O=C(/C=C\C(=O)O)NCCCCCCCCCCCCNC(=O)/C=C\C(=O)O
InChI Key UIPWBIZIYFFHOR-XSYHWHKQSA-N
Molecular Formula C20H32N2O6
Exact Mass 396.478 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UIPWBIZIYFFHOR-XSYHWHKQSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UIPWBIZIYFFHOR-XSYHWHKQSA-N/CHMO0000595
Version
Author hatice mutlu
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-10
Related Molecule
  • (Z)-4-[12-[[(Z)-3-carboxyprop-2-enoyl]amino]dodecylamino]-4-oxobut-2-enoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL8857582 SureChEMBL
    88376643 PubChem
    ZINC000044628545 ZINC
    The data in this table is sourced from UniChem at EBI.