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/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
SMILES C[C@@H]1CCC(=C(C)C)C(=O)C1
InChI Key NZGWDASTMWDZIW-MRVPVSSYSA-N
Molecular Formula C10H16O
Exact Mass 152.233 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NZGWDASTMWDZIW-MRVPVSSYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/NZGWDASTMWDZIW-MRVPVSSYSA-N/CHMO0001146
Version
Author Dieter Sicker
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-11
Related Molecule
  • (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35596 chebi
    LMPR0102090025 lipidmaps
    CHEMBL2924219 chembl
    38305 surechembl
    442495 pubchem
    4LF2673R3G fdasrs
    PD085564 probes_and_drugs
    144314 brenda
    190521 brenda
    8370 brenda
    8701 brenda
    HMDB0035604 hmdb
    Molport-001-793-332 molport
    The data in this table is sourced from UniChem at EBI.