Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C44H26F30O2S5/c1-5-15-17(7-3)27(21-11-13-23(78-21)29(75)31(45,46)33(49,50)35(53,54)37(57,58)39(61,62)41(65,66)43(69,70)71)80-25(15)19-9-10-20(77-19)26-16(6-2)18(8-4)28(81-26)22-12-14-24(79-22)30(76)32(47,48)34(51,52)36(55,56)38(59,60)40(63,64)42(67,68)44(72,73)74/h9-14H,5-8H2,1-4H3
SMILES	CCc1c(sc(c1CC)c1ccc(s1)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(s1)c1sc(c(c1CC)CC)c1ccc(s1)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	CNIZMXGWJBAZFA-UHFFFAOYSA-N
Exact Mass	1316.953 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CNIZMXGWJBAZFA-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/CNIZMXGWJBAZFA-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-12-02 Start time : 01:24:36 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-26268 ID : 355162 Solvent : CDCl3 Temperature : 298.000905409812 K K Puls programme : zgpg30 Number of scans : 4096 Instrument : Avance NEO 400 Name : TopSpin

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