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

*Links on SpectraBase are not permalinks.

Isoviolanthrone

View entire compound with spectra: 4 FTIR, and 1 Raman

Isoviolanthrone
SpectraBase Compound ID D0XDJovcNbt
InChI InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H
InChIKey BSIHWSXXPBAGTC-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C34H16O2
Exact Mass 456.11503 g/mol

Raman Spectrum

Raman Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 3XJEeTunQga
Name Isoviolanthrone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.115029753 u
Formula C34H16O2
InChI InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H
InChIKey BSIHWSXXPBAGTC-UHFFFAOYSA-N
Molecular Weight 456.500 g/mol
SMILES C=1C=CC=2C(C=3C4=C5C(C=6C=7C=8C(C=9C=CC=CC9C(C8C=CC7C5=CC=C4C2C1)=O)=CC6)=CC3)=O
Spectrum/Structure Validation Score (Raman) 0.896455