Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H16O2/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7,12H,1-4H3
SMILES COc1cc(C)c(cc1C(C)C)O
InChI Key NXUKKIRUGGHAKL-UHFFFAOYSA-N
Molecular Formula C11H16O2
Exact Mass 180.244 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NXUKKIRUGGHAKL-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NXUKKIRUGGHAKL-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:16:58.932547
MetadataModified 2024-09-07T15:22:39.121767
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables