Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H13ClOS2/c11-9(10-13-4-5-14-10)7-2-1-3-8(12)6-7/h7H,1-6H2
SMILES O=C1CCCC(C1)C(=C1SCCS1)Cl
InChI Key NBLKWHHUXUGJIG-UHFFFAOYSA-N
Molecular Formula C10H13ClOS2
Exact Mass 248.793 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NBLKWHHUXUGJIG-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/NBLKWHHUXUGJIG-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 3-[chloro(1,3-dithiolan-2-ylidene)methyl]cyclohexan-1-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083276 PubChem
    The data in this table is sourced from UniChem at EBI.