Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C30H36NO.C10H14.ClH.Ru/c1-29-16-14-23(32)19-22(29)10-11-24-26-13-12-25(30(26,2)17-15-27(24)29)20-6-8-21(9-7-20)28-5-3-4-18-31-28;1-8(2)10-6-4-9(3)5-7-10;;/h3-8,12,18,22-24,26-27,32H,10-11,13-17,19H2,1-2H3;4-8H,1-3H3;1H;/t22-,23-,24-,26-,27-,29-,30+;;;/m0.../s1
SMILES	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1ccc2c(c1)[Ru](Cl)N1=C2C=CC=C1)C)C.Cc1ccc(cc1)C(C)C
InChI Key	BKJMAQBEMNSABP-YPTRVNJOSA-N
Molecular Formula	C40H51ClNORu
Exact Mass	698.362 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BKJMAQBEMNSABP-YPTRVNJOSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BKJMAQBEMNSABP-YPTRVNJOSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:24:47.687043
MetadataModified	2024-09-07T15:34:12.092287
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.