Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C18H20O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13,19H,6-8,10H2,1H3/t13-/m1/s1
SMILES	C[C@H](c1cc2CCc3ccc(CCc1cc2)cc3)O
InChI Key	IOOIGEUVTBOKRL-CYBMUJFWSA-N
Molecular Formula	C18H20O
Exact Mass	252.351 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IOOIGEUVTBOKRL-CYBMUJFWSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/IOOIGEUVTBOKRL-CYBMUJFWSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:39:19.319504
MetadataModified	2024-09-07T21:11:46.422709
MetadataPublished	2022-01-10

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

Data-Source Molecule ID	Data-Source
15974965	PubChem
MCULE-6698387984	Mcule
ZINC000003122318	ZINC
J1.689.707H	Nikkaji
CACTOQ	CCDC
The data in this table is sourced from UniChem at EBI.