Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H20BFO2/c1-4-5-11-6-7-12(13(16)8-11)15-17-9-14(2,3)10-18-15/h6-8H,4-5,9-10H2,1-3H3
SMILES CCCc1ccc(c(c1)F)B1OCC(CO1)(C)C
InChI Key WEAAZHZJJSQDNF-UHFFFAOYSA-N
Molecular Formula C14H20BFO2
Exact Mass 250.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEAAZHZJJSQDNF-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/WEAAZHZJJSQDNF-UHFFFAOYSA-N/CHMO0000630
Version
Author Peter Baeuerle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:52:44.806781
MetadataModified 2025-01-29T16:44:45.271438
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15925384 PubChem: Thomson Pharma
10879511 PubChem
J1.908.699B Nikkaji
The data in this table is sourced from UniChem at EBI.