Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H21NO7/c1-11(2,3)19-10(17)12-6-8(15)7(14)5(4-13)18-9(6)16/h5-9,13-16H,4H2,1-3H3,(H,12,17)/t5-,6-,7-,8-,9?/m1/s1
SMILES OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)OC(C)(C)C
InChI Key CQWFSMWAGKKQJB-VARJHODCSA-N
Molecular Formula C11H21NO7
Exact Mass 279.287 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CQWFSMWAGKKQJB-VARJHODCSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CQWFSMWAGKKQJB-VARJHODCSA-N/IR
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:53:15.679308
MetadataModified 2024-09-07T13:15:55.960663
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID90553959 EPA CompTox Dashboard
SCHEMBL18528477 SureChEMBL
26752087 eMolecules
J1.803.005E Nikkaji
13998612 PubChem
The data in this table is sourced from UniChem at EBI.