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7,14-bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dienylidene)dispiro[5.1.5.1]tetradecane
SpectraBase Compound ID 15YfMoTebmH
InChI InChI=1S/C42H60O2/c1-37(2,3)29-23-27(24-30(33(29)43)38(4,5)6)35-41(19-15-13-16-20-41)36(42(35)21-17-14-18-22-42)28-25-31(39(7,8)9)34(44)32(26-28)40(10,11)12/h23-26H,13-22H2,1-12H3
InChIKey KAWUCBCMJLPTJE-UHFFFAOYSA-N
Mol Weight 596.9 g/mol
Molecular Formula C42H60O2
Exact Mass 596.459331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EL2K3g8f9eb
Name 7,14-bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dienylidene)dispiro[5.1.5.1]tetradecane
Alternate Name(s) 2,6-ditert-butyl-4-[14-(3,5-ditert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)dispiro[5.1.5.1]tetradec-7-ylidene]-2,5-cyclohexadien-1-one
CAS Registry Number 107271-47-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H60O2
InChI InChI=1S/C42H60O2/c1-37(2,3)29-23-27(24-30(33(29)43)38(4,5)6)35-41(19-15-13-16-20-41)36(42(35)21-17-14-18-22-42)28-25-31(39(7,8)9)34(44)32(26-28)40(10,11)12/h23-26H,13-22H2,1-12H3
InChIKey KAWUCBCMJLPTJE-UHFFFAOYSA-N
Molecular Weight 596.940 g/mol
SMILES C1(=C2C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)C2(CCCCC2)C(C11CCCCC1)=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O
SPLASH splash10-0a4i-9000030000-d059d7aad2c787706cb2
Source of Spectrum J-52-2159-25
Wiley ID 1409871