attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

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Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Information

molecular Image

InChI	InChI=1S/C14H17NO2/c1-10-9-15(13(16)17-14(2,3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3
SMILES	Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C
InChI Key	SMURSSZMVCOKOO-UHFFFAOYSA-N
Exact Mass	231.290 g/mol

Data and Resources

attenuated total reflectance Fourier transform...HTML

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Metadata Information

Field	Value
DOI	10.14272/SMURSSZMVCOKOO-UHFFFAOYSA-N/CHMO0000763
License URL
Source	https://www.chemotion-repository.net/inchikey/SMURSSZMVCOKOO-UHFFFAOYSA-N/CHMO0000763
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
11806510	PubChem
DTXSID60473170	EPA CompTox Dashboard
J416.470I	Nikkaji
ZINC000036449401	ZINC
16920987	PubChem: Thomson Pharma
SCHEMBL1196432	SureChEMBL
The data in this table is sourced from UniChem at EBI.