Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C26H23BrF3NO5Si/c1-37(2,3)36-20-10-6-9-18-21(32)15-7-4-5-8-16(15)22(33)25(18,20)23(34)17-13-14(11-12-19(17)27)31-24(35)26(28,29)30/h4-8,10-13,18,20H,9H2,1-3H3,(H,31,35)/t18-,20-,25-/m0/s1
SMILES	O=C(C(F)(F)F)Nc1ccc(c(c1)C(=O)[C@]12[C@H](C=CC[C@H]1C(=O)c1c(C2=O)cccc1)O[Si](C)(C)C)Br
InChI Key	JXKJABRIOCCTBF-KHOMTPLRSA-N
Molecular Formula	C26H23BrF3NO5Si
Exact Mass	594.449 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JXKJABRIOCCTBF-KHOMTPLRSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JXKJABRIOCCTBF-KHOMTPLRSA-N/CHMO0000593
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:08:03.897133
MetadataModified	2024-09-07T17:55:19.126968
MetadataPublished	2020-05-07
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
146035828	PubChem
UYUHAA	CCDC
The data in this table is sourced from UniChem at EBI.