Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(14)10(8)15/h5-7H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1cccc(c1F)F
InChI Key BFCCQFHEIXEEKP-UHFFFAOYSA-N
Molecular Formula C12H15BF2O2
Exact Mass 240.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BFCCQFHEIXEEKP-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/BFCCQFHEIXEEKP-UHFFFAOYSA-N/CHMO0000630
Version
Author Peter Baeuerle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:53:50.785967
MetadataModified 2025-01-29T16:45:45.227919
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
56973143 PubChem
SCHEMBL2301628 SureChEMBL
J3.393.728H Nikkaji
ZINC000199594018 ZINC
The data in this table is sourced from UniChem at EBI.