Dataset

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

Chemical Info

InChI	InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2
SMILES	O=Cc1cc2CCc3ccc(CCc1cc2)cc3C=O
InChI Key	MRXCZHLKRNMFEL-UHFFFAOYSA-N
Molecular Formula	C18H16O2
Exact Mass	264.318 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MRXCZHLKRNMFEL-UHFFFAOYSA-N/CHMO0000726
License URL
Source	https://www.chemotion-repository.net/inchikey/MRXCZHLKRNMFEL-UHFFFAOYSA-N/CHMO0000726
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:03:33.788860
MetadataModified	2024-09-07T22:37:42.393063
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
UZINOH	CCDC
J1.361.515B	Nikkaji
13268507	PubChem
The data in this table is sourced from UniChem at EBI.