Dataset

Raman spectroscopy (Raman spectrometry)

dataset for Raman spectroscopy (Raman spectrometry)

Chemical Information

molecular Image
InChI InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
SMILES C#CCNCc1ccccc1
InChI Key LDYBFSGEBHSTOQ-UHFFFAOYSA-N
Molecular Formula C10H11N
Exact Mass 145.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDYBFSGEBHSTOQ-UHFFFAOYSA-N/Raman
License URL
Source https://www.chemotion-repository.net/inchikey/LDYBFSGEBHSTOQ-UHFFFAOYSA-N/Raman
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-benzylprop-2-yn-1-amine
    • Field Value
    Measurement Technique Raman spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16019972 PubChem: Thomson Pharma
    SCHEMBL669952 SureChEMBL
    99277 PubChem
    1197-51-9 ACToR
    1197208 eMolecules
    ZINC000019312725 ZINC
    40889 Brenda
    CHEMBL1322 ChEMBL
    HMDB0244443 Human Metabolome Database
    J217.039F Nikkaji
    MCULE-8947471605 Mcule
    DTXSID40152552 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.