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

*Links on SpectraBase are not permalinks.
2,6-Dihydroxy-1,5-dimethyl-4,8-dicyano-2,6-bis(phenylethynyl) bicyclo[3.3.0] octane
SpectraBase Compound ID A25nzKWarME
InChI InChI=1S/C28H24N2O2/c1-25-23(19-29)17-28(32,16-14-22-11-7-4-8-12-22)26(25,2)24(20-30)18-27(25,31)15-13-21-9-5-3-6-10-21/h3-12,23-24,31-32H,17-18H2,1-2H3
InChIKey PNAWDIMPWGVTPZ-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C28H24N2O2
Exact Mass 420.183778 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 2aGGQFh4u74
Name 2,6-Dihydroxy-1,5-dimethyl-4,8-dicyano-2,6-bis(phenylethynyl) bicyclo[3.3.0] octane
CAS Registry Number 142484-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24N2O2
InChI InChI=1S/C28H24N2O2/c1-25-23(19-29)17-28(32,16-14-22-11-7-4-8-12-22)26(25,2)24(20-30)18-27(25,31)15-13-21-9-5-3-6-10-21/h3-12,23-24,31-32H,17-18H2,1-2H3
InChIKey PNAWDIMPWGVTPZ-UHFFFAOYSA-N
Molecular Weight 420.512 g/mol
SMILES OC1(C2(C(C(CC2C#N)(C#Cc2ccccc2)O)(C(C1)C#N)C)C)C#Cc1ccccc1
SPLASH splash10-0fi3-1920200000-b3e7d57780a8163055e0
Source of Spectrum K-125-2605-26
Synonyms 3,6-Dihydroxy-3a,6a-dimethyl-3,6-bis(phenylethynyl)octahydro-1,4-pentalenedicarbonitrile
Wiley ID 1378183