Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C10H12N2O3/c1-7-5-8(3-4-9(7)15-2)12-10(13)6-11-14/h3-6,14H,1-2H3,(H,12,13)/b11-6+
SMILES	O/N=C/C(=O)Nc1ccc(c(c1)C)OC
InChI Key	YKZBEIJTRNBOFF-IZZDOVSWSA-N
Molecular Formula	C10H12N2O3
Exact Mass	208.214 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YKZBEIJTRNBOFF-IZZDOVSWSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/YKZBEIJTRNBOFF-IZZDOVSWSA-N/IR.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:17:51.390012
MetadataModified	2024-09-07T14:10:18.790277
MetadataPublished	2015-10-31
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL3131311	SureChEMBL
21291501	PubChem
The data in this table is sourced from UniChem at EBI.