Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H27NO10/c1-12(24)29-11-18-20(30-13(2)25)21(31-14(3)26)19(22(33-18)32-15(4)27)23-10-16-6-8-17(28-5)9-7-16/h6-10,18-22H,11H2,1-5H3/b23-10+/t18-,19-,20-,21-,22?/m1/s1
SMILES	COc1ccc(cc1)/C=N/[C@H]1C(OC(=O)C)O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C
InChI Key	BPVDJXUNJWJXMH-ANDZSCLQSA-N
Molecular Formula	C22H27NO10
Exact Mass	465.450 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BPVDJXUNJWJXMH-ANDZSCLQSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BPVDJXUNJWJXMH-ANDZSCLQSA-N/IR
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:47:06.809797
MetadataModified	2024-09-07T12:19:46.735676
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL16680913	SureChEMBL
J2.807.786F	Nikkaji
The data in this table is sourced from UniChem at EBI.