Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3
SMILES CC(c1ccc2c(c1)c1cc(ccc1[nH]2)C(C)(C)C)(C)C
InChI Key OYFFSPILVQLRQA-UHFFFAOYSA-N
Molecular Formula C20H25N
Exact Mass 279.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OYFFSPILVQLRQA-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/OYFFSPILVQLRQA-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:45:38.200395
MetadataModified 2024-09-08T01:45:38.200401
MetadataPublished 2023-11-02
Related Molecule
  • 3,6-ditert-butyl-9H-carbazole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL29535 SureChEMBL
    35877958 eMolecules
    CB5166721 ChemicalBook
    15469209 PubChem
    DTXSID90573056 EPA CompTox Dashboard
    IYIXAR CCDC
    ZINC000002580729 ZINC
    J89.168A Nikkaji
    The data in this table is sourced from UniChem at EBI.