Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C20H20/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h3-6,9-10,13-14H,1-2,7-8,11-12H2
SMILES	C=Cc1cc2CCc3ccc(CCc1cc2)cc3C=C
InChI Key	TTXZIYBDKNEJBG-UHFFFAOYSA-N
Molecular Formula	C20H20
Exact Mass	260.373 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TTXZIYBDKNEJBG-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/TTXZIYBDKNEJBG-UHFFFAOYSA-N/CHMO0000595
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:54:34.022032
MetadataModified	2025-02-25T12:01:19.289876
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Aug18-2023 Date : 20230818 Start time : 23.10 h Instrument : Avance NEO Label : HT-645 ID : 211089 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J889.228H	Nikkaji
ESUPOY	CCDC
15364513	PubChem
The data in this table is sourced from UniChem at EBI.