Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H18O3/c1-4-5-6-15-12-8-10(13-2)7-11(9-12)14-3/h7-9H,4-6H2,1-3H3
SMILES CCCCOc1cc(OC)cc(c1)OC
InChI Key UYKLCIRRPUIZCX-UHFFFAOYSA-N
Molecular Formula C12H18O3
Exact Mass 210.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UYKLCIRRPUIZCX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UYKLCIRRPUIZCX-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:19:49.519325
MetadataModified 2024-09-07T15:26:51.000662
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1890207365 Mcule
138453572 PubChem
The data in this table is sourced from UniChem at EBI.