Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H10O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3
SMILES	CCOC(=O)c1ccc(cc1)C=O
InChI Key	BHYVHYPBRYOMGC-UHFFFAOYSA-N
Molecular Formula	C10H10O3
Exact Mass	178.185 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N/CHMO0000470.3
License URL
Source	https://www.chemotion-repository.net/inchikey/BHYVHYPBRYOMGC-UHFFFAOYSA-N/CHMO0000470.3
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:00:03.472239
MetadataModified	2024-09-07T17:44:24.922623
MetadataPublished	2020-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
6287-86-1	ACToR
SCHEMBL528212	SureChEMBL
80498	PubChem
16902545	PubChem: Thomson Pharma
36805652	eMolecules
DTXSID20212042	EPA CompTox Dashboard
J206.850H	Nikkaji
ZINC000001718709	ZINC
CB6925039	ChemicalBook
The data in this table is sourced from UniChem at EBI.