Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H22O2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h11-12H,1-10H2
SMILES C(CC1CCCO1)CCC1CCCO1
InChI Key BWWOIUHWHYSGJZ-UHFFFAOYSA-N
Molecular Formula C12H22O2
Exact Mass 198.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BWWOIUHWHYSGJZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/BWWOIUHWHYSGJZ-UHFFFAOYSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-[4-(oxolan-2-yl)butyl]oxolane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.