Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H12O2/c1-7-4-5-8(2)11-10(7)6-9(3)12(13)14-11/h4-6H,1-3H3
SMILES	O=c1oc2c(C)ccc(c2cc1C)C
InChI Key	WQINIDWRLXNROW-UHFFFAOYSA-N
Molecular Formula	C12H12O2
Exact Mass	188.222 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WQINIDWRLXNROW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WQINIDWRLXNROW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:16:20.278000
MetadataModified	2024-09-07T19:25:24.180162
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14363725	PubChem
The data in this table is sourced from UniChem at EBI.