Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C48H45N5S4/c1-6-7-8-9-10-11-12-13-14-15-16-53-37-23-43(41-21-33-17-29(2)45(35(25-49)26-50)31(4)19-39(33)54-41)56-47(37)48-38(53)24-44(57-48)42-22-34-18-30(3)46(36(27-51)28-52)32(5)20-40(34)55-42/h17-24H,6-16H2,1-5H3
SMILES	CCCCCCCCCCCCn1c2cc(sc2c2c1cc(s2)c1sc2c(c1)C=C(C(=C(C#N)C#N)C(=C2)C)C)c1sc2c(c1)C=C(C(=C(C#N)C#N)C(=C2)C)C
InChI Key	QDDRYCXSKYBATH-UHFFFAOYSA-N
Exact Mass	820.164 g/mol

Data and Resources

• 1H--13C heteronuclear single quantum coherence...HTML
  Go to source

• 1h13c-heteronuclear...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QDDRYCXSKYBATH-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/QDDRYCXSKYBATH-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	date : 2025-11-01 starting time : 14:46:25 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-28204 id : 354218 Solvent : CDCl3 temperature : 298.066119924148 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : Avance NEO 400 Name : TopSpin

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