Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
SMILES	COC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key	REIZEQZILPXYKS-UHFFFAOYSA-N
Molecular Formula	C14H19BO4
Exact Mass	262.109 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/REIZEQZILPXYKS-UHFFFAOYSA-N/IR
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:34:13.572278
MetadataModified	2024-09-07T11:53:44.795230
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
CB4345936	ChemicalBook
DTXSID10378500	EPA CompTox Dashboard
ZINC000169743471	ZINC
171364-80-0	ACToR
524160	eMolecules
14798999	PubChem: Thomson Pharma
TASBUL	CCDC
J845.354C	Nikkaji
SCHEMBL105161	SureChEMBL
2773500	PubChem
The data in this table is sourced from UniChem at EBI.