Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Info

InChI	InChI=1S/2C13H21.Fe/c2*1-12(2,3)10-7-8-11(9-10)13(4,5)6;/h2*7-9H,1-6H3;/q2*-1;+2
SMILES	CC(c1ccc([cH-]1)C(C)(C)C)(C)C.CC(c1ccc([cH-]1)C(C)(C)C)(C)C.[Fe+2]
InChI Key	GDNSZQMZEWNQFG-UHFFFAOYSA-N
Molecular Formula	C26H42Fe
Exact Mass	410.457 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GDNSZQMZEWNQFG-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/GDNSZQMZEWNQFG-UHFFFAOYSA-N/CHMO0000485
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:54:11.213349
MetadataModified	2024-09-08T00:54:11.213354
MetadataPublished	2023-04-13

Field	Value
Measurement Technique	high-resolution electrospray ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
129682780	PubChem
158223655	PubChem
The data in this table is sourced from UniChem at EBI.