Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H12O6/c1-7-4-10(19-8(2)15)13-9(16)6-12(14(17)18-3)20-11(13)5-7/h4-6H,1-3H3
SMILES	COC(=O)c1cc(=O)c2c(o1)cc(cc2OC(=O)C)C
InChI Key	BSICPVUKEZXNLC-UHFFFAOYSA-N
Molecular Formula	C14H12O6
Exact Mass	276.241 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BSICPVUKEZXNLC-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BSICPVUKEZXNLC-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:18:01.523505
MetadataModified	2024-09-07T15:24:11.007482
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453540	PubChem
The data in this table is sourced from UniChem at EBI.