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2,5-Cyclohexadien-1-one, 4,4'-[1,2-bis[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1,2-ethaned iylidene]bis[2,6-bis(1,1-dimethylethyl)-
SpectraBase Compound ID 4kp6V1N56bg
InChI InChI=1S/C58H82O4/c1-51(2,3)37-31-36(59)32-38(52(4,5)6)47(37)46(35-29-43(57(19,20)21)50(62)44(30-35)58(22,23)24)45(33-25-39(53(7,8)9)48(60)40(26-33)54(10,11)12)34-27-41(55(13,14)15)49(61)42(28-34)56(16,17)18/h25-32,60,62H,1-24H3
InChIKey GYCFEDLFQSFBDH-UHFFFAOYSA-N
Mol Weight 843.3 g/mol
Molecular Formula C58H82O4
Exact Mass 842.621311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNKRfZ9s77d
Name 2,5-Cyclohexadien-1-one, 4,4'-[1,2-bis[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1,2-ethaned iylidene]bis[2,6-bis(1,1-dimethylethyl)-
Alternate Name(s) 4,4'-[bis(3,5-di-t-butyl-4-hydroxyphenyl)ethanediylidene]bis(2,6-di-t-butylcyclohexa-2,5-dien-1-one) 4-[1,2-bis(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-3,5-di-tert-butylcyclohexa-2,5-dien-1-one
CAS Registry Number 61938-06-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H82O4
InChI InChI=1S/C58H82O4/c1-51(2,3)37-31-36(59)32-38(52(4,5)6)47(37)46(35-29-43(57(19,20)21)50(62)44(30-35)58(22,23)24)45(33-25-39(53(7,8)9)48(60)40(26-33)54(10,11)12)34-27-41(55(13,14)15)49(61)42(28-34)56(16,17)18/h25-32,60,62H,1-24H3
InChIKey GYCFEDLFQSFBDH-UHFFFAOYSA-N
Molecular Weight 843.290 g/mol
SMILES Oc1c(cc(C(C(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)=C2C(=CC(C=C2C(C)(C)C)=O)C(C)(C)C)=C2C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0006-0000000090-3a9793ec204efd7d0373
Source of Spectrum B-33-364-0
Wiley ID 1417640