Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+
SMILES	OC(=O)/C=C/c1cccc(c1)/C=C/C(=O)O
InChI Key	KRXUBZPHAPGHPE-YDFGWWAZSA-N
Molecular Formula	C12H10O4
Exact Mass	218.205 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KRXUBZPHAPGHPE-YDFGWWAZSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/KRXUBZPHAPGHPE-YDFGWWAZSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:29:25.164027
MetadataModified	2024-09-07T15:41:10.451675
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J802.839G	Nikkaji
ZINC000000242770	ZINC
SURGOC	CCDC
J2.728.593G	Nikkaji
794091	PubChem
2061633	eMolecules
SCHEMBL69146	SureChEMBL
CB53722205	ChemicalBook
PD080264	ProbesDrugs
The data in this table is sourced from UniChem at EBI.