Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C34H24BrNO2/c35-33-30-21-11-9-14-26(30)23-24-32(33)38-34-28(18-13-25-36-34)17-6-3-1-2-5-15-27-16-10-12-22-31(27)37-29-19-7-4-8-20-29/h4,7-14,16,18-25H,1-3H2
SMILES	Brc1c(ccc2c1cccc2)Oc1ncccc1C#CCCCC#Cc1ccccc1Oc1ccccc1
InChI Key	OCXZXRQVBSFEOZ-UHFFFAOYSA-N
Molecular Formula	C34H24BrNO2
Exact Mass	558.464 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OCXZXRQVBSFEOZ-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/OCXZXRQVBSFEOZ-UHFFFAOYSA-N/CHMO0000601
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:56:40.976006
MetadataModified	2025-01-29T16:48:21.890926
MetadataPublished	2024-12-05
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : SG-V4317 HPLC date : 20240919 starting time : 21.46 h instrument : spect label : SG-3840 id : 325486 Solvent : chloroform-D1 (CDCl3)

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