Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C50H54O2S9Si4/c1-52-50(51)42-28-31(32-14-15-35(53-32)40-26-29(33-18-22-43(55-33)62(2,3)4)48(59-40)38-20-24-45(57-38)64(8,9)10)47(61-42)37-17-16-36(54-37)41-27-30(34-19-23-44(56-34)63(5,6)7)49(60-41)39-21-25-46(58-39)65(11,12)13/h14-28H,1-13H3
SMILES COC(=O)c1sc(c(c1)c1ccc(s1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C
InChI Key BIIAMWVXIIKMQC-UHFFFAOYSA-N
Exact Mass 1087.890 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BIIAMWVXIIKMQC-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/BIIAMWVXIIKMQC-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 : 2025-11-09

Start time : 00:49:48 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-26093

ID : 355376

Solvent : CDCl3

Temperature : 297.997581805087 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
177693361 pubchem
The data in this table is sourced from UniChem at EBI.