Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C36H42O12/c1-7-43-31(37)25-13-19-20(14-26(25)32(38)44-8-2)22-16-28(34(40)46-10-4)30(36(42)48-12-6)18-24(22)23-17-29(35(41)47-11-5)27(15-21(19)23)33(39)45-9-3/h7-18H2,1-6H3
SMILES CCOC(=O)C1=C(Cc2c(C1)c1CC(=C(Cc1c1c2CC(=C(C1)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI Key AUFFAUKDAGFVAA-UHFFFAOYSA-N
Molecular Formula C36H42O12
Exact Mass 666.711 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AUFFAUKDAGFVAA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/AUFFAUKDAGFVAA-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • hexaethyl 1,4,5,8,9,12-hexahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427487 PubChem
    The data in this table is sourced from UniChem at EBI.