Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C40H58Br2N2S4Si2/c1-15-17-43-27-19-29(49(21(3)4,22(5)6)23(7)8)45-35(27)39-33(43)31(41)37(47-39)38-32(42)34-40(48-38)36-28(44(34)18-16-2)20-30(46-36)50(24(9)10,25(11)12)26(13)14/h19-26H,15-18H2,1-14H3
SMILES CCCn1c2c(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)CCC
InChI Key MHTWVXPCHIPROC-UHFFFAOYSA-N
Exact Mass 911.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MHTWVXPCHIPROC-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MHTWVXPCHIPROC-UHFFFAOYSA-N/CHMO0000595
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-11-09

Start time : 05:57:34 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-25304

ID : 355663

Solvent : CDCl3

Temperature : 297.999647829646 K K

Puls programme : zgpg30

Number of scans : 4096

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
177693362 pubchem
The data in this table is sourced from UniChem at EBI.