Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H
SMILES O=c1oc2ccccc2cc1c1ccccc1
InChI Key HWDSXZLYIKESML-UHFFFAOYSA-N
Molecular Formula C15H10O2
Exact Mass 222.239 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HWDSXZLYIKESML-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HWDSXZLYIKESML-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:03:32.023342
MetadataModified 2024-09-07T13:31:17.179119
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
14969745 PubChem: Thomson Pharma
SCHEMBL177366 SureChEMBL
955-10-2 ACToR
70385 PubChem
730085 eMolecules
71460 Brenda
MCULE-1345261046 Mcule
CHEMBL510349 ChEMBL
WV24YNY4AU FDA SRS
DTXSID50241860 EPA CompTox Dashboard
96220 BindingDB
J80.041D Nikkaji
QECNUJ CCDC
ZINC000000057995 ZINC
The data in this table is sourced from UniChem at EBI.