Dataset
Raman spectroscopy (Raman spectrometry)
Chemical Info
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 |
MetadataCreated | 2024-09-06T23:44:03.227378 |
MetadataModified | 2024-09-07T13:02:20.841408 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | Raman spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1322 | ChEMBL |
1197208 | eMolecules |
99277 | PubChem |
16019972 | PubChem: Thomson Pharma |
SCHEMBL669952 | SureChEMBL |
1197-51-9 | ACToR |
40889 | Brenda |
ZINC000019312725 | ZINC |
DTXSID40152552 | EPA CompTox Dashboard |
MCULE-8947471605 | Mcule |
MolPort-000-942-859 | MolPort |
HMDB0244443 | Human Metabolome Database |
J217.039F | Nikkaji |
The data in this table is sourced from UniChem at EBI. |