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/C11H14O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h4-7,13H,1-3H3
SMILES O=Cc1c(ccc(c1O)C)C(C)C
InChI Key LLVQQQQUKUEOOW-UHFFFAOYSA-N
Molecular Formula C11H14O2
Exact Mass 178.228 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLVQQQQUKUEOOW-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LLVQQQQUKUEOOW-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-21
Related Molecule
  • 2-hydroxy-3-methyl-6-propan-2-ylbenzaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12222509 surechembl
    12414507 pubchem
    Molport-003-824-483 molport
    The data in this table is sourced from UniChem at EBI.