.beta.,.beta.-Carotene - Boron Trifluoride - Intermediate - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	KPtjALJMI1P
InChI	InChI=1S/C40H56BF3/c1-31(19-13-21-33(3)24-26-36-35(5)23-15-28-38(36,6)7)17-11-12-18-32(2)20-14-22-34(4)25-27-37-39(8,9)29-16-30-40(37,10)41(42,43)44/h11-14,17-22,24-27H,15-16,23,28-30H2,1-10H3/b12-11+,19-13+,20-14+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+
InChIKey	ANBHZUHPSSCSGF-OQFJHEEASA-N Google Search
Mol Weight	604.7 g/mol
Molecular Formula	C40H56BF3
Exact Mass	604.442716 g/mol

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SpectraBase Spectrum ID	LEYAeMjaVcv
Name	.beta.,.beta.-Carotene - Boron Trifluoride - Intermediate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H56BF3
InChI	InChI=1S/C40H56BF3/c1-31(19-13-21-33(3)24-26-36-35(5)23-15-28-38(36,6)7)17-11-12-18-32(2)20-14-22-34(4)25-27-37-39(8,9)29-16-30-40(37,10)41(42,43)44/h11-14,17-22,24-27H,15-16,23,28-30H2,1-10H3/b12-11+,19-13+,20-14+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+
InChIKey	ANBHZUHPSSCSGF-OQFJHEEASA-N
Molecular Weight	604.693 g/mol
SMILES	[C+]1(C([B-](F)(F)F)(CCCC1(C)C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C)C
SPLASH	splash10-056r-9221011000-cece235552de55be61bd
Source of Spectrum	F5-1-4070-6
Synonyms	Trifluoro(1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)cyclohexan-2-ylium-1-yl)borate
Wiley ID	1731565