Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C19H22O/c1-14(20-2)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-14H,7-9,11H2,1-2H3/t14-/m1/s1
SMILES	CO[C@@H](c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key	VLSVCBRWWHGXCJ-CQSZACIVSA-N
Molecular Formula	C19H22O
Exact Mass	266.377 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VLSVCBRWWHGXCJ-CQSZACIVSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/VLSVCBRWWHGXCJ-CQSZACIVSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:39:41.439529
MetadataModified	2024-09-07T21:12:15.609633
MetadataPublished	2022-01-10

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
92200112	PubChem
ZINC000003136806	ZINC
The data in this table is sourced from UniChem at EBI.