Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
SMILES CCOC(=O)C1CC1c1ccccc1
InChI Key SRGUIJLJERBBCM-UHFFFAOYSA-N
Molecular Formula C12H14O2
Exact Mass 190.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SRGUIJLJERBBCM-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SRGUIJLJERBBCM-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:28:18.693011
MetadataModified 2024-09-07T15:39:32.815569
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1112535443 Mcule
316914 PubChem
16106469 PubChem: Thomson Pharma
SCHEMBL928888 SureChEMBL
97-71-2 ACToR
837063 eMolecules
J794.023H Nikkaji
The data in this table is sourced from UniChem at EBI.