Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H15NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-9H,1-3H3/b9-6+
SMILES COC(=O)/C=C/c1ccc(cc1)N(C)C
InChI Key ZKGVSZCAHWJHDJ-RMKNXTFCSA-N
Molecular Formula C12H15NO2
Exact Mass 205.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZKGVSZCAHWJHDJ-RMKNXTFCSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZKGVSZCAHWJHDJ-RMKNXTFCSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:24:09.894245
MetadataModified 2024-09-07T15:33:13.395634
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16226854 PubChem: Thomson Pharma
7560-48-7 ACToR
SCHEMBL3362793 SureChEMBL
6440195 PubChem
ZINC000005140506 ZINC
J2.919.207C Nikkaji
J1.410.311B Nikkaji
CHEMBL2252106 ChEMBL
The data in this table is sourced from UniChem at EBI.