Dataset

distortionless enhancement with polarization transfer (DEPT)

Chemical Information

InChI	InChI=1S/C67H51N3O4S2/c1-71-53-34-26-49(27-35-53)68(50-28-36-54(72-2)37-29-50)47-22-18-44(19-23-47)63-42-59-65(75-63)66-60(67(59)57-14-8-10-16-61(57)70(46-12-6-5-7-13-46)62-17-11-9-15-58(62)67)43-64(76-66)45-20-24-48(25-21-45)69(51-30-38-55(73-3)39-31-51)52-32-40-56(74-4)41-33-52/h5-43H,1-4H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1cc2c(-c3c(C42c2ccccc2N(c2c4cccc2)c2ccccc2)cc(s3)c2ccc(cc2)N(c2ccc(cc2)OC)c2ccc(cc2)OC)s1
InChI Key	AFZMRZAEASEOGN-UHFFFAOYSA-N
Exact Mass	1026.270 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AFZMRZAEASEOGN-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/AFZMRZAEASEOGN-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Date : 2025-08-23 Start time : 14:40:12 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-27866 ID : 354420 Solvent : CDCl3 Temperature : 297.999617887261 K K Puls programme : deptsp90 Number of scans : 256 Instrument : Avance NEO 400 Name : TopSpin

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