Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C20H20/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h3-4,7-10,13-14H,1-2,5-6,11-12H2
SMILES	C=Cc1cc2ccc1CCc1ccc(CC2)cc1C=C
InChI Key	FURJPBBXDVSGQT-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/FURJPBBXDVSGQT-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/FURJPBBXDVSGQT-UHFFFAOYSA-N/CHMO0000595
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:54:52.791543
MetadataModified	2025-02-25T12:01:36.981244
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 : Mar13-2024 Date : 20240314 Start time : 7.56 h Instrument : Avance NEO Label : HT-74 ID : 116309 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J1.057.316E	Nikkaji
ESUPEO	CCDC
15815967	PubChem: Thomson Pharma
10777766	PubChem
The data in this table is sourced from UniChem at EBI.