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

*Links on SpectraBase are not permalinks.
4-[bis(3-methyl-1-azulenyl)methylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone
SpectraBase Compound ID 7GnQW5Ig9x0
InChI InChI=1S/C37H38O/c1-23-19-30(28-17-13-9-11-15-26(23)28)34(31-20-24(2)27-16-12-10-14-18-29(27)31)25-21-32(36(3,4)5)35(38)33(22-25)37(6,7)8/h9-22H,1-8H3
InChIKey WGTCQGOWHWPIRG-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C37H38O
Exact Mass 498.292266 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 89niaFVPU3
Name 4-[bis(3-methyl-1-azulenyl)methylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H38O
InChI InChI=1S/C37H38O/c1-23-19-30(28-17-13-9-11-15-26(23)28)34(31-20-24(2)27-16-12-10-14-18-29(27)31)25-21-32(36(3,4)5)35(38)33(22-25)37(6,7)8/h9-22H,1-8H3
InChIKey WGTCQGOWHWPIRG-UHFFFAOYSA-N
Molecular Weight 498.710 g/mol
SMILES c1(C(c2c3c(ccccc3)c(c2)C)=C2C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)c2c(ccccc2)c(c1)C
SPLASH splash10-000t-1000900000-98eda4993f6d21bd3a99
Source of Spectrum J-62-2431-6
Synonyms 4-[bis(3-methylazulen-1-yl)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one 4-[bis(3-methylazulen-1-yl)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
Wiley ID 1398690