Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C35H38O5/c36-35(31-15-19-33(20-16-31)39-25-9-7-23-37-27-29-11-3-1-4-12-29)32-17-21-34(22-18-32)40-26-10-8-24-38-28-30-13-5-2-6-14-30/h1-6,11-22H,7-10,23-28H2
SMILES O=C(c1ccc(cc1)OCCCCOCc1ccccc1)c1ccc(cc1)OCCCCOCc1ccccc1
InChI Key XHZHVHMQWMDSMO-UHFFFAOYSA-N
Molecular Formula C35H38O5
Exact Mass 538.673 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XHZHVHMQWMDSMO-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3.1
License URL
Source https://www.chemotion-repository.net/inchikey/XHZHVHMQWMDSMO-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-19
Related Molecule
  • bis[4-(4-phenylmethoxybutoxy)phenyl]methanone
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    77014273 PubChem
    The data in this table is sourced from UniChem at EBI.