Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9Cl3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14
SMILES N#Cc1c(Cl)c(C#N)c(c(c1Cl)C#N)Cl
InChI Key LBLQEGBXQYLSEP-UHFFFAOYSA-N
Molecular Formula C9Cl3N3
Exact Mass 256.475 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LBLQEGBXQYLSEP-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LBLQEGBXQYLSEP-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:30:19.943212
MetadataModified 2024-09-07T15:42:32.565388
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL11322706 SureChEMBL
7232-91-9 ACToR
3638-98-0 ACToR
199025 PubChem
ZINC000003642856 ZINC
BAFJOH CCDC
CHEMBL3248185 ChEMBL
J41.326G Nikkaji
DTXSID50189910 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.