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2-tert-butyl-1-[(E)-2-(2-tert-butyl-4,5,9,10-tetrahydropyren-1-yl)ethenyl]-4,5,9,10-tetrahydropyrene

View entire compound with spectra: 1 MS (GC)

2-tert-butyl-1-[(E)-2-(2-tert-butyl-4,5,9,10-tetrahydropyren-1-yl)ethenyl]-4,5,9,10-tetrahydropyrene
SpectraBase Compound ID KKRib5SIXnc
InChI InChI=1S/C42H44/c1-41(2,3)35-23-29-15-13-25-9-7-11-27-17-19-33(39(29)37(25)27)31(35)21-22-32-34-20-18-28-12-8-10-26-14-16-30(40(34)38(26)28)24-36(32)42(4,5)6/h7-12,21-24H,13-20H2,1-6H3/b22-21+
InChIKey WJXLHXHAKPPVGU-QURGRASLSA-N
Mol Weight 548.8 g/mol
Molecular Formula C42H44
Exact Mass 548.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNaR9qychCd
Name 2-tert-butyl-1-[(E)-2-(2-tert-butyl-4,5,9,10-tetrahydropyren-1-yl)ethenyl]-4,5,9,10-tetrahydropyrene
Alternate Name(s) 2-tert-butyl-1-[(E)-2-(2-tert-butyl-4,5,9,10-tetrahydropyren-1-yl)vinyl]-4,5,9,10-tetrahydropyrene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H44
InChI InChI=1S/C42H44/c1-41(2,3)35-23-29-15-13-25-9-7-11-27-17-19-33(39(29)37(25)27)31(35)21-22-32-34-20-18-28-12-8-10-26-14-16-30(40(34)38(26)28)24-36(32)42(4,5)6/h7-12,21-24H,13-20H2,1-6H3/b22-21+
InChIKey WJXLHXHAKPPVGU-QURGRASLSA-N
Molecular Weight 548.814 g/mol
SMILES c-12c3c(\C=C\c4c5c6-c7c(cccc7CC5)CCc6cc4C(C)(C)C)c(cc2CCc2c1c(CC3)ccc2)C(C)(C)C
SPLASH splash10-001j-0090070000-6ae615492d39c14e043f
Source of Spectrum J-61-5108-10
Wiley ID 1405563