Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C25H29FO3/c1-4-5-6-9-12-25(2,3)19-15-22(27)20-14-18(24(28)29-23(20)16-19)13-17-10-7-8-11-21(17)26/h7-8,10-11,14-16,27H,4-6,9,12-13H2,1-3H3
SMILES CCCCCCC(c1cc(O)c2c(c1)oc(=O)c(c2)Cc1ccccc1F)(C)C
InChI Key SYPLGEFHLAXGAK-UHFFFAOYSA-N
Exact Mass 396.494 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYPLGEFHLAXGAK-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/SYPLGEFHLAXGAK-UHFFFAOYSA-N/CHMO0000498
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-28T13:07:50Z
Related Molecule
  • nfdi4chem-mol7427 (Unknown Molecule)
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.