Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

InChI	InChI=1S/C45H25NO2/c47-43-32-14-4-9-19-40(32)46-41-20-10-5-15-33(41)44(48)35-24-27(23-34(43)42(35)46)26-21-22-31-30-13-3-8-18-38(30)45(39(31)25-26)36-16-6-1-11-28(36)29-12-2-7-17-37(29)45/h1-25H
SMILES	O=c1c2cc(cc3c2n(c2c1cccc2)c1c(c3=O)cccc1)c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3
InChI Key	FRRRJIKBUBEALS-UHFFFAOYSA-N
Exact Mass	611.685 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FRRRJIKBUBEALS-UHFFFAOYSA-N/CHMO0001148.1
License URL
Source	https://www.chemotion-repository.net/inchikey/FRRRJIKBUBEALS-UHFFFAOYSA-N/CHMO0001148.1
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	title : Jun06-2024-braese date : 20240606 starting time : 19.10 h label : JAH-367 id : 118398 Solvent : THF temperature : 298.0 K PULPROG : hmbcgplpndqf number of scans : 4 scans instrument : spect

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