Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C46H70Br2N2S4Si2/c1-15-17-19-21-23-49-33-25-35(55(27(3)4,28(5)6)29(7)8)51-41(33)45-39(49)37(47)43(53-45)44-38(48)40-46(54-44)42-34(50(40)24-22-20-18-16-2)26-36(52-42)56(30(9)10,31(11)12)32(13)14/h25-32H,15-24H2,1-14H3
SMILES CCCCCCn1c2c(Br)c(sc2c2c1cc(s2)[Si](C(C)C)(C(C)C)C(C)C)c1sc2c(c1Br)n(c1c2sc(c1)[Si](C(C)C)(C(C)C)C(C)C)CCCCCC
InChI Key AOARGXPDOYQBMG-UHFFFAOYSA-N
Exact Mass 995.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOARGXPDOYQBMG-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AOARGXPDOYQBMG-UHFFFAOYSA-N/CHMO0001146
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
date : 2025-12-01

starting time : 13:02:47 UTC

creator : Sylvia Vanderheiden-Schroen

label : ComP-23749

id : 355965

Solvent : CDCl3

temperature : 298.066269636072 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.