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/C17H16O2/c1-12-8-10-15(18-12)17(14-6-4-3-5-7-14)16-11-9-13(2)19-16/h3-11,17H,1-2H3
SMILES Cc1ccc(o1)C(c1ccc(o1)C)c1ccccc1
InChI Key QLZTYUYHMZDOCP-UHFFFAOYSA-N
Molecular Formula C17H16O2
Exact Mass 252.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QLZTYUYHMZDOCP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QLZTYUYHMZDOCP-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-15
Related Molecule
  • 2-methyl-5-[(5-methylfuran-2-yl)-phenylmethyl]furan
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    619851 PubChem
    CHEMBL3290592 ChEMBL
    DTXSID10347296 EPA CompTox Dashboard
    J544.251F Nikkaji
    The data in this table is sourced from UniChem at EBI.