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

*Links on SpectraBase are not permalinks.
1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-phenyl-methyl]azulene
SpectraBase Compound ID KQoBxPmYdMZ
InChI InChI=1S/C43H52/c1-40(2,3)29-18-22-31-33(24-20-29)37(42(7,8)9)26-35(31)39(28-16-14-13-15-17-28)36-27-38(43(10,11)12)34-25-21-30(41(4,5)6)19-23-32(34)36/h13-27,39H,1-12H3
InChIKey UZYBJAFDFKXFPM-UHFFFAOYSA-N
Mol Weight 568.9 g/mol
Molecular Formula C43H52
Exact Mass 568.406902 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 JMLIETfxkgY
Name 1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-phenyl-methyl]azulene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H52
InChI InChI=1S/C43H52/c1-40(2,3)29-18-22-31-33(24-20-29)37(42(7,8)9)26-35(31)39(28-16-14-13-15-17-28)36-27-38(43(10,11)12)34-25-21-30(41(4,5)6)19-23-32(34)36/h13-27,39H,1-12H3
InChIKey UZYBJAFDFKXFPM-UHFFFAOYSA-N
Molecular Weight 568.889 g/mol
SMILES c1(c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)C(c1c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)c1ccccc1
SPLASH splash10-014i-0000090000-3e92addbeaeb541062c2
Source of Spectrum AJ-68-1430-10
Synonyms 1,6-ditert-butyl-3-[(3,6-ditert-butyl-1-azulenyl)-phenylmethyl]azulene
Wiley ID 773286