Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C16H15NO6/c1-21-12-5-3-11(4-6-12)10-23-13-7-8-15(17(19)20)14(9-13)16(18)22-2/h3-9H,10H2,1-2H3
SMILES	COc1ccc(cc1)COc1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
InChI Key	ZHGMVVIRGFSBIV-UHFFFAOYSA-N
Molecular Formula	C16H15NO6
Exact Mass	317.293 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZHGMVVIRGFSBIV-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ZHGMVVIRGFSBIV-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:21:48.378211
MetadataModified	2024-09-07T15:29:44.901476
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453607	PubChem
The data in this table is sourced from UniChem at EBI.