Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H12NO/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3/q+1
SMILES CO[n+]1c(C)cccc1C
InChI Key KLBUCJOXLXYLOG-UHFFFAOYSA-N
Molecular Formula C8H12NO+
Exact Mass 138.187 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KLBUCJOXLXYLOG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/KLBUCJOXLXYLOG-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:21:43.658961
MetadataModified 2024-09-07T15:29:37.979574
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J409.347J Nikkaji
CANTIU CCDC
14199448 PubChem
The data in this table is sourced from UniChem at EBI.