Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H19BF2O2/c1-4-5-11-12(16)6-10(7-13(11)17)15-18-8-14(2,3)9-19-15/h6-7H,4-5,8-9H2,1-3H3
SMILES CCCc1c(F)cc(cc1F)B1OCC(CO1)(C)C
InChI Key IVDPDZHHHSPIGG-UHFFFAOYSA-N
Molecular Formula C14H19BF2O2
Exact Mass 268.107 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVDPDZHHHSPIGG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/IVDPDZHHHSPIGG-UHFFFAOYSA-N/CHMO0000630
Version
Author Peter Baeuerle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:50:37.072988
MetadataModified 2025-01-29T16:42:51.298300
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.908.701H Nikkaji
16145798 PubChem: Thomson Pharma
11076426 PubChem
The data in this table is sourced from UniChem at EBI.