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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C₄₅H₅₂Si₄

Canonical SMILES:
C[Si](C#Cc1ccc(cc1)C(c1ccc(cc1)C#C[Si](C)(C)C)(c1ccc(cc1)C#C[Si](C)(C)C)c1ccc(cc1)C#C[Si](C)(C)C)(C)C

InChI:
InChI=1S/C45H52Si4/c1-46(2,3)33-29-37-13-21-41(22-14-37)45(42-23-15-38(16-24-42)30-34-47(4,5)6,43-25-17-39(18-26-43)31-35-48(7,8)9)44-27-19-40(20-28-44)32-36-49(10,11)12/h13-28H,1-12H3

InChIKey:
FMKQWNTZHAYCKA-UHFFFAOYSA-N

Exact Mass:

Crosslinks:

Published on 2023-08-02

13C nuclear magnetic resonance spectroscopy (13C NMR)

Author: Lisa Schmidt¹

1. IOC AK Bräse, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:

Analysis ID:

Content:

13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 146.0 (4C, Cq), 131.3 (8C, +, CArH), 130.7 (8C, +, CArH), 121.2 (4C, Cq), 104.6 (4C, Cq), 94.8 (4C, CqSi), 26.9 (Cq), -0.1 (12C, +, CH3). Impurities: unknown impurity at -0.5 ppm.

Datasets

LIS-P428_13C_Beleg

Formula: C45H52Si4

Canonical SMILES: C[Si](C#Cc1ccc(cc1)C(c1ccc(cc1)C#C[Si](C)(C)C)(c1ccc(cc1)C#C[Si](C)(C)C)c1ccc(cc1)C#C[Si](C)(C)C)(C)C

InChI: InChI=1S/C45H52Si4/c1-46(2,3)33-29-37-13-21-41(22-14-37)45(42-23-15-38(16-24-42)30-34-47(4,5)6,43-25-17-39(18-26-43)31-35-48(7,8)9)44-27-19-40(20-28-44)32-36-49(10,11)12/h13-28H,1-12H3

InChIKey: FMKQWNTZHAYCKA-UHFFFAOYSA-N