Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)19-14(15(20)22-4)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10,14,18H,9H2,1-4H3,(H,19,21)/t14-/m0/s1
SMILES COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C
InChI Key QXLOVPXUZAOKBL-AWEZNQCLSA-N
Molecular Formula C17H22N2O4
Exact Mass 318.368 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXLOVPXUZAOKBL-AWEZNQCLSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QXLOVPXUZAOKBL-AWEZNQCLSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:13.373251
MetadataModified 2024-09-07T15:14:03.496601
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.249.147F Nikkaji
7021503 PubChem
CB1694819 ChemicalBook
ZINC000002572517 ZINC
MCULE-1588298495 Mcule
DTXSID10427380 EPA CompTox Dashboard
36473434 eMolecules
SCHEMBL1486155 SureChEMBL
15903815 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.