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

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Dataset

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

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

Chemical Information

molecular Image

InChI	InChI=1S/C50H39N3O6S2/c1-3-5-7-17-42(54)52-36-24-30(19-21-34(36)45(56)49(52)58)40-26-38-47(60-40)48-39(51(38)44-32-15-11-9-13-28(32)23-29-14-10-12-16-33(29)44)27-41(61-48)31-20-22-35-37(25-31)53(50(59)46(35)57)43(55)18-8-6-4-2/h9-16,19-27H,3-8,17-18H2,1-2H3
SMILES	CCCCCC(=O)N1C(=O)C(=O)c2c1cc(cc2)c1cc2c(s1)c1c(n2c2c3ccccc3cc3c2cccc3)cc(s1)c1ccc2c(c1)N(C(=O)CCCCC)C(=O)C2=O
InChI Key	QGPRZEQDIFDMHK-UHFFFAOYSA-N
Exact Mass	841.991 g/mol

Data and Resources

1H--13C heteronuclear multiple bond coherence...HTML

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Metadata Information

Field	Value
DOI	10.14272/QGPRZEQDIFDMHK-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/QGPRZEQDIFDMHK-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-11-01 starting time : 20:31:27 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-28244 id : 354325 Solvent : CDCl3 temperature : 297.999647829646 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177693364	pubchem
The data in this table is sourced from UniChem at EBI.