.psi.,.psi.-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-2,2'-bis(3-methylbutyl)-, (2R,2'R)-

SpectraBase Compound ID	39sj22EnZiI
InChI	InChI=1S/C50H76/c1-39(2)31-35-49(41(5)6)37-33-47(13)29-19-27-45(11)25-17-23-43(9)21-15-16-22-44(10)24-18-26-46(12)28-20-30-48(14)34-38-50(42(7)8)36-32-40(3)4/h15-30,33-34,37-42,49-50H,31-32,35-36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,43-21+,44-22+,45-25+,46-26+,47-29+,48-30+/t49-,50-/m0/s1
InChIKey	HMFGZGUEWBIZSK-XNIDOYPXSA-N Google Search
Mol Weight	677.2 g/mol
Molecular Formula	C50H76
Exact Mass	676.594702 g/mol

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SpectraBase Spectrum ID	6f9us1OGCcK
Name	.psi.,.psi.-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-2,2'-bis(3-methylbutyl)-, (2R,2'R)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	676.594702447 u
Formula	C50H76
InChI	InChI=1S/C50H76/c1-39(2)31-35-49(41(5)6)37-33-47(13)29-19-27-45(11)25-17-23-43(9)21-15-16-22-44(10)24-18-26-46(12)28-20-30-48(14)34-38-50(42(7)8)36-32-40(3)4/h15-30,33-34,37-42,49-50H,31-32,35-36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,43-21+,44-22+,45-25+,46-26+,47-29+,48-30+/t49-,50-/m0/s1
InChIKey	HMFGZGUEWBIZSK-XNIDOYPXSA-N
SMILES	[C@](\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\[C@](CCC(C)C)(C(C)C)[H])C)C)C)C)C)C)(CCC(C)C)(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.873328