Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C11H16N2O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8H,1-4H3
SMILES	CC(c1cc(cc([n+]1[O-])C(C)C)[N+](=O)[O-])C
InChI Key	XUGFXWHZQIUNCQ-UHFFFAOYSA-N
Molecular Formula	C11H16N2O3
Exact Mass	224.256 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XUGFXWHZQIUNCQ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/XUGFXWHZQIUNCQ-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:13.845636
MetadataModified	2024-09-07T15:25:55.832415
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453557	PubChem
The data in this table is sourced from UniChem at EBI.