Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
SMILES	O=C([C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)OC(C)(C)C
InChI Key	INVKHBRFFCQICU-VIFPVBQESA-N
Molecular Formula	C14H23NO5
Exact Mass	285.336 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/INVKHBRFFCQICU-VIFPVBQESA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/INVKHBRFFCQICU-VIFPVBQESA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:10:53.529585
MetadataModified	2024-09-07T15:13:35.048327
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
11129853	PubChem
933999	eMolecules
SCHEMBL713924	SureChEMBL
16206085	PubChem: Thomson Pharma
91229-91-3	ACToR
CB8754204	ChemicalBook
J977.224C	Nikkaji
DTXSID60456327	EPA CompTox Dashboard
ZINC000008698149	ZINC
The data in this table is sourced from UniChem at EBI.