Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H12ClNO6/c1-22-14(19)8-3-5-11(17)12(8)13(18)9-6-7(15)2-4-10(9)16(20)21/h2,4,6,8,12H,3,5H2,1H3/t8-,12?/m0/s1
SMILES	COC(=O)[C@H]1CCC(=O)C1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChI Key	ZEGXUGGAKJQHIL-KBPLZSHQSA-N
Molecular Formula	C14H12ClNO6
Exact Mass	325.701 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZEGXUGGAKJQHIL-KBPLZSHQSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ZEGXUGGAKJQHIL-KBPLZSHQSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:18:20.457170
MetadataModified	2024-09-07T15:24:40.188311
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453547	PubChem
The data in this table is sourced from UniChem at EBI.