Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key UOJCDDLTVQJPGH-UHFFFAOYSA-N
Molecular Formula C18H28B2O4
Exact Mass 330.035 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UOJCDDLTVQJPGH-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:50:41.954565
MetadataModified 2024-09-07T12:06:56.941330
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.053.215I Nikkaji
SCHEMBL228212 SureChEMBL
EPOYIS CCDC
15621590 PubChem: Thomson Pharma
528568 eMolecules
DTXSID30442257 EPA CompTox Dashboard
ZINC000169743800 ZINC
CB1500370 ChemicalBook
10592495 PubChem
The data in this table is sourced from UniChem at EBI.