Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3
SMILES CCOC(=O)c1[nH]c2c(c1I)cccc2
InChI Key BZVJUWYDEMOJMH-UHFFFAOYSA-N
Molecular Formula C11H10INO2
Exact Mass 315.107 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BZVJUWYDEMOJMH-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/BZVJUWYDEMOJMH-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:28:55.681299
MetadataModified 2024-09-07T15:40:27.310514
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-8810707664 Mcule
10881580 PubChem
SCHEMBL2724382 SureChEMBL
ZINC000063110807 ZINC
32277808 eMolecules
15927701 PubChem: Thomson Pharma
DTXSID70446996 EPA CompTox Dashboard
J910.223J Nikkaji
The data in this table is sourced from UniChem at EBI.