Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C17H30O3/c1-5-6-7-8-9-10-11-15-14(18)12-13-16(19-15)20-17(2,3)4/h12-13,15-16H,5-11H2,1-4H3/t15-,16?/m0/s1
SMILES CCCCCCCC[C@@H]1OC(C=CC1=O)OC(C)(C)C
InChI Key BMHCBBLRQFEKMM-VYRBHSGPSA-N
Molecular Formula C17H30O3
Exact Mass 282.418 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BMHCBBLRQFEKMM-VYRBHSGPSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/BMHCBBLRQFEKMM-VYRBHSGPSA-N/CHMO0000498
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (6S)-2-[(2-methylpropan-2-yl)oxy]-6-octyl-2H-pyran-5-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416630 PubChem
    The data in this table is sourced from UniChem at EBI.