Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C26H31FO3/c1-5-6-7-8-13-26(2,3)20-16-23(29-4)22-15-19(25(28)30-24(22)17-20)14-18-9-11-21(27)12-10-18/h9-12,15-17H,5-8,13-14H2,1-4H3
SMILES CCCCCCC(c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)F)(C)C
InChI Key XNHZWBCDSBCRRY-UHFFFAOYSA-N
Exact Mass 410.521 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XNHZWBCDSBCRRY-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/XNHZWBCDSBCRRY-UHFFFAOYSA-N/CHMO0000498
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-28T13:07:58Z
Related Molecule
  • nfdi4chem-mol5509 (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.