Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H11IO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3
SMILES COc1cc(OC)c(c(c1)OC)I
InChI Key UITRNILXEICAJH-UHFFFAOYSA-N
Molecular Formula C9H11IO3
Exact Mass 294.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UITRNILXEICAJH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UITRNILXEICAJH-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:19:21.007219
MetadataModified 2024-09-07T15:26:06.373029
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
125303811 PubChem: Thomson Pharma
ZINC000003201120 ZINC
DTXSID20482602 EPA CompTox Dashboard
12254097 PubChem
J436.247K Nikkaji
SCHEMBL504691 SureChEMBL
The data in this table is sourced from UniChem at EBI.