Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
SMILES CC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key ANGKVUVZQVUVJO-UHFFFAOYSA-N
Molecular Formula C14H20BNO3
Exact Mass 261.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ANGKVUVZQVUVJO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ANGKVUVZQVUVJO-UHFFFAOYSA-N/IR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:41:47.646906
MetadataModified 2024-09-07T14:31:52.733029
MetadataPublished 2018-09-10
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
2734619 PubChem
15268985 PubChem: Thomson Pharma
214360-60-8 ACToR
516605 eMolecules
SCHEMBL1284377 SureChEMBL
CB7154304 ChemicalBook
J1.255.215G Nikkaji
DTXSID80370399 EPA CompTox Dashboard
ZINC000169747441 ZINC
The data in this table is sourced from UniChem at EBI.