Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+
SMILES	Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCCCCCCCCCCCO[Si](C(C)(C)C)(C)C
InChI Key	JUTBIEGEKGNYJD-PNBBGTCESA-N
Molecular Formula	C47H58N6O2Si
Exact Mass	767.088 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JUTBIEGEKGNYJD-PNBBGTCESA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JUTBIEGEKGNYJD-PNBBGTCESA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:39:33.012443
MetadataModified	2024-09-07T22:14:41.964978
MetadataPublished	2022-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163197220	PubChem
The data in this table is sourced from UniChem at EBI.