Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H21BO2/c1-4-5-12-6-8-13(9-7-12)15-16-10-14(2,3)11-17-15/h6-9H,4-5,10-11H2,1-3H3
SMILES CCCc1ccc(cc1)B1OCC(CO1)(C)C
InChI Key DMVXUZLIMSBAIZ-UHFFFAOYSA-N
Molecular Formula C14H21BO2
Exact Mass 232.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DMVXUZLIMSBAIZ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DMVXUZLIMSBAIZ-UHFFFAOYSA-N/CHMO0000630
Version
Author Peter Baeuerle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:53:18.484772
MetadataModified 2025-01-29T16:45:16.532096
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15973043 PubChem: Thomson Pharma
J1.908.698D Nikkaji
10922381 PubChem
The data in this table is sourced from UniChem at EBI.