Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C72H100N4S5Si2/c1-7-13-19-25-29-35-41-82(42-36-30-26-20-14-8-2)65-49-63(61-47-57(39-33-23-17-11-5)59(77-61)45-55(51-73)52-74)79-67(65)69-71(82)72-70(81-69)68-66(83(72,43-37-31-27-21-15-9-3)44-38-32-28-22-16-10-4)50-64(80-68)62-48-58(40-34-24-18-12-6)60(78-62)46-56(53-75)54-76/h45-50H,7-44H2,1-6H3
SMILES CCCCCCCC[Si]1(CCCCCCCC)c2cc(sc2-c2c1c1c(-c3c([Si]1(CCCCCCCC)CCCCCCCC)cc(s3)c1cc(c(s1)C=C(C#N)C#N)CCCCCC)s2)c1cc(c(s1)C=C(C#N)C#N)CCCCCC
InChI Key GZHRGWFKXYCMQT-UHFFFAOYSA-N
Exact Mass 1238.087 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GZHRGWFKXYCMQT-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/GZHRGWFKXYCMQT-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 2-[[5-[14-[5-(2,2-dicyanoethenyl)-4-hexylthiophen-2-yl]-3,3,17,17-tetraoctyl-7,10,13-trithia-3,17-disilapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-3-hexylthiophen-2-yl]methylidene]propanedinitrile
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SVS-X25899

    Date : 20250311

    Start time : 2.21 h

    Label : SVS-3876

    ID : 358640

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

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