Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

Molecular Image
InChI InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-15(18)13-14-17(19)20-16/h13-14,16-17,19H,2-12H2,1H3/t16-,17?/m0/s1
SMILES CCCCCCCCCCCC[C@@H]1OC(O)C=CC1=O
InChI Key HRRYGSPDIDDOQX-BHWOMJMDSA-N
Molecular Formula C17H30O3
Exact Mass 282.418 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HRRYGSPDIDDOQX-BHWOMJMDSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/HRRYGSPDIDDOQX-BHWOMJMDSA-N/CHMO0000498
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (6S)-6-dodecyl-2-hydroxy-2H-pyran-5-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416638 pubchem
    The data in this table is sourced from UniChem at EBI.