Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H21NO4/c1-15(2,3)20-13(17)9-10-16-14(18)19-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)
SMILES O=C(OCc1ccccc1)NCCC(=O)OC(C)(C)C
InChI Key RLEOEDXSMUQCMZ-UHFFFAOYSA-N
Molecular Formula C15H21NO4
Exact Mass 279.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLEOEDXSMUQCMZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RLEOEDXSMUQCMZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:09:36.853572
MetadataModified 2024-09-07T15:11:42.269122
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000006563366 ZINC
4344203 eMolecules
SCHEMBL6049741 SureChEMBL
4585488 PubChem
15642762 PubChem: Thomson Pharma
CB42462172 ChemicalBook
DTXSID10404555 EPA CompTox Dashboard
J898.325I Nikkaji
The data in this table is sourced from UniChem at EBI.