Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C39H33N/c1-26-22-27(2)35-25-37(34-20-18-32(19-21-34)31-6-4-3-5-7-31)39(40-38(35)23-26)36-24-30-13-12-28-8-10-29(11-9-28)14-16-33(36)17-15-30/h3-11,15,17-25H,12-14,16H2,1-2H3
SMILES	Cc1cc(C)c2c(c1)nc(c(c2)c1ccc(cc1)c1ccccc1)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	KEPIYMCLMODAHR-UHFFFAOYSA-N
Exact Mass	515.686 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KEPIYMCLMODAHR-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/KEPIYMCLMODAHR-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:32:14.984066
MetadataModified	2024-09-23T09:23:37.950121
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Mar15-2024 date : 20240315 starting time : 22.11 h instrument : Avance NEO label : KT-791 id : 298233 Solvent : CD2Cl2

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