1,1,3-Tris(2-methyl-4-ditridecyl phosphite 5-tert-butylphenyl)butane

SpectraBase Compound ID	LGbsTZEmbrR
InChI	InChI=1S/C115H211O9P3/c1-20-26-32-38-44-50-56-62-68-74-80-86-116-125(117-87-81-75-69-63-57-51-45-39-33-27-21-2)122-110-93-100(8)103(96-107(110)113(11,12)13)99(7)92-106(104-97-108(114(14,15)16)111(94-101(104)9)123-126(118-88-82-76-70-64-58-52-46-40-34-28-22-3)119-89-83-77-71-65-59-53-47-41-35-29-23-4)105-98-109(115(17,18)19)112(95-102(105)10)124-127(120-90-84-78-72-66-60-54-48-42-36-30-24-5)121-91-85-79-73-67-61-55-49-43-37-31-25-6/h93-99,106H,20-92H2,1-19H3
InChIKey	CZTSGNFUGWAVBG-UHFFFAOYSA-N Google Search
Mol Weight	1830.9 g/mol
Molecular Formula	C115H211O9P3
Exact Mass	1829.526599 g/mol

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SpectraBase Spectrum ID	LxR8ZHyX1d6
Name	1,1,3-Tris(2-methyl-4-ditridecyl phosphite 5-tert-butylphenyl)butane
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1829.526599359 u
Formula	C115H211O9P3
InChI	InChI=1S/C115H211O9P3/c1-20-26-32-38-44-50-56-62-68-74-80-86-116-125(117-87-81-75-69-63-57-51-45-39-33-27-21-2)122-110-93-100(8)103(96-107(110)113(11,12)13)99(7)92-106(104-97-108(114(14,15)16)111(94-101(104)9)123-126(118-88-82-76-70-64-58-52-46-40-34-28-22-3)119-89-83-77-71-65-59-53-47-41-35-29-23-4)105-98-109(115(17,18)19)112(95-102(105)10)124-127(120-90-84-78-72-66-60-54-48-42-36-30-24-5)121-91-85-79-73-67-61-55-49-43-37-31-25-6/h93-99,106H,20-92H2,1-19H3
InChIKey	CZTSGNFUGWAVBG-UHFFFAOYSA-N
Molecular Weight	1830.865 g/mol
SMILES	C1(=CC(=C(C=C1C(C)(C)C)C(C1=C(C=C(C(=C1)C(C)(C)C)OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)C)CC(C1=C(C=C(C(=C1)C(C)(C)C)OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)C)C)C)OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC