Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C14H9ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H |
---|---|
SMILES | Clc1nc2ccccc2nc1c1ccccc1 |
InChI Key | KPGPIQKEKAEAHM-UHFFFAOYSA-N |
Molecular Formula | C14H9ClN2 |
Exact Mass | 240.688 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KPGPIQKEKAEAHM-UHFFFAOYSA-N/CHMO0000630.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KPGPIQKEKAEAHM-UHFFFAOYSA-N/CHMO0000630.1 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:18:17.856110 |
MetadataModified | 2024-09-08T04:18:17.856115 |
MetadataPublished | 2024-07-31 |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
J1.041.217J | Nikkaji |
MolPort-000-182-233 | MolPort |
SCHEMBL1545355 | SureChEMBL |
MCULE-7246655028 | Mcule |
ZINC000000041122 | ZINC |
CB6303222 | ChemicalBook |
677464 | PubChem |
16921307 | PubChem: Thomson Pharma |
1087657 | eMolecules |
CHEMBL1330063 | ChEMBL |
The data in this table is sourced from UniChem at EBI. |