Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
SMILES CC1(C)c2ccccc2Oc2c1cccc2
InChI Key MTVNAPYHLASOSX-UHFFFAOYSA-N
Molecular Formula C15H14O
Exact Mass 210.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-25
Related Molecule
  • 9,9-dimethylxanthene
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30101735 NMRShiftDB
    MCULE-7056512116 Mcule
    606997 PubChem
    CB0783558 ChemicalBook
    SCHEMBL47009 SureChEMBL
    24774994 PubChem: Thomson Pharma
    502703 eMolecules
    19814-75-6 ACToR
    J784.399B Nikkaji
    ZINC000001081165 ZINC
    DTXSID00345781 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.