Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3
SMILES NCCC(=O)OC(C)(C)C
InChI Key ZJXHVYSDMUKUCA-UHFFFAOYSA-N
Molecular Formula C7H15NO2
Exact Mass 145.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJXHVYSDMUKUCA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZJXHVYSDMUKUCA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:29:57.993662
MetadataModified 2024-09-07T15:41:59.419018
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
27332869 eMolecules
4192171 PubChem
15861051 PubChem: Thomson Pharma
SCHEMBL132540 SureChEMBL
DTXSID60400603 EPA CompTox Dashboard
ZINC000000402635 ZINC
J1.029.953E Nikkaji
HY-W017970 MedChemExpress
CB32134799 ChemicalBook
MCULE-3447039960 Mcule
The data in this table is sourced from UniChem at EBI.