For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(5E)-1,3-ditert-butyl-5-[(4E)-4-(2,4-ditert-butyl-1-cyclopenta-2,4-dienylidene)-2,3-bis[(E)-(2,4-ditert-butyl-1-cyclopenta-2,4-dienylidene)methyl]butylidene]cyclopenta-1,3-diene
SpectraBase Compound ID JOU0dqeoF6U
InChI InChI=1S/C58H86/c1-51(2,3)43-29-39(47(33-43)55(13,14)15)25-37(26-40-30-44(52(4,5)6)34-48(40)56(16,17)18)38(27-41-31-45(53(7,8)9)35-49(41)57(19,20)21)28-42-32-46(54(10,11)12)36-50(42)58(22,23)24/h25-38H,1-24H3/b39-25+,40-26+,41-27+,42-28+
InChIKey GSSUPYABYGRCHI-WUAMPXJLSA-N
Mol Weight 783.3 g/mol
Molecular Formula C58H86
Exact Mass 782.672953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8lmOFZSG3fT
Name (5E)-1,3-ditert-butyl-5-[(4E)-4-(2,4-ditert-butyl-1-cyclopenta-2,4-dienylidene)-2,3-bis[(E)-(2,4-ditert-butyl-1-cyclopenta-2,4-dienylidene)methyl]butylidene]cyclopenta-1,3-diene
Alternate Name(s) (5E)-1,3-ditert-butyl-5-[(4E)-4-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)-2,3-bis[(E)-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)methyl]butylidene]cyclopenta-1,3-diene
CAS Registry Number 125764-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H86
InChI InChI=1S/C58H86/c1-51(2,3)43-29-39(47(33-43)55(13,14)15)25-37(26-40-30-44(52(4,5)6)34-48(40)56(16,17)18)38(27-41-31-45(53(7,8)9)35-49(41)57(19,20)21)28-42-32-46(54(10,11)12)36-50(42)58(22,23)24/h25-38H,1-24H3/b39-25+,40-26+,41-27+,42-28+
InChIKey GSSUPYABYGRCHI-WUAMPXJLSA-N
Molecular Weight 783.326 g/mol
SMILES C=1(\C(C=C(C1)C(C)(C)C)=C\C(\C=C\1C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(\C=C\1C(=CC(=C1)C(C)(C)C)C(C)(C)C)\C=C\1C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0a4i-9001000000-5f76d73da9e8e9fef1b4
Source of Spectrum K-123-1428-25
Wiley ID 1416934