Dataset

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

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

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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NZGWDASTMWDZIW-MRVPVSSYSA-N/CHMO0001150
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–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    35596 ChEBI
    C09893 KEGG Ligand
    J3.216F Nikkaji
    HY-N1500 MedChemExpress
    PULEGONE rxnorm
    60000061 NMRShiftDB
    LMPR0102090025 LipidMaps
    DTXSID2025975 EPA CompTox Dashboard
    MCULE-1921650357 Mcule
    CHEMBL2924219 ChEMBL
    MCULE-3385582028 Mcule
    SCHEMBL38305 SureChEMBL
    35596 Rhea
    HMDB0035604 Human Metabolome Database
    CB3448348 ChemicalBook
    8370 Brenda
    144314 Brenda
    8701 Brenda
    ZINC000005735752 ZINC
    MTBLC35596 Metabolights
    502632 eMolecules
    14916152 PubChem: Thomson Pharma
    442495 PubChem
    4LF2673R3G FDA SRS
    PD085564 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.