Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H13NO/c1-7-4-8(2)6-10(5-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
SMILES CC(=O)Nc1cc(C)cc(c1)C
InChI Key HFAYQHIHIBTMBI-UHFFFAOYSA-N
Molecular Formula C10H13NO
Exact Mass 163.216 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HFAYQHIHIBTMBI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HFAYQHIHIBTMBI-UHFFFAOYSA-N/IR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:40:53.633701
MetadataModified 2024-09-07T14:30:29.151436
MetadataPublished 2018-06-25
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
74903 PubChem
MCULE-2632514086 Mcule
J135.078A Nikkaji
NIFGIT CCDC
137673 Brenda
DTXSID10174488 EPA CompTox Dashboard
2050-45-5 ACToR
SCHEMBL849875 SureChEMBL
1060317 eMolecules
ZINC000000409850 ZINC
The data in this table is sourced from UniChem at EBI.