Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Information

InChI	InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3
SMILES	CCCCC1=C(C1c1cc2ccc1CCc1ccc(CC2)cc1)CCCC
InChI Key	YVPBHOCIEHQVGE-UHFFFAOYSA-N
Exact Mass	358.559 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YVPBHOCIEHQVGE-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/YVPBHOCIEHQVGE-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-20
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	date : 2025-10-19 starting time : 10:30:18 UTC creator : Tilman Köhler label : KT-1882 id : 390786 Solvent : CDCl3 temperature : 298.0142 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.