1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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

1H--13C heteronuclear multiple bond coherence...HTML

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Metadata Information

Field	Value
DOI	10.14272/BIIAMWVXIIKMQC-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/BIIAMWVXIIKMQC-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-11-09 starting time : 02:00:13 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26093 id : 355376 Solvent : CDCl3 temperature : 297.99644399446 K PULPROG : hmbcgpndqf number of scans : 8 scans 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.