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

*Links on SpectraBase are not permalinks.

Chrysosplin, dimethyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

Chrysosplin, dimethyl ether
SpectraBase Compound ID FTeRDShXaXL
InChI InChI=1S/C21H22O8/c1-23-11-7-8-12(13(9-11)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3
InChIKey BNDRHZPDGSBZEN-UHFFFAOYSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2NP7FxuuYtC
Name Chrysosplin, dimethyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.131467660 u
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-23-11-7-8-12(13(9-11)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3
InChIKey BNDRHZPDGSBZEN-UHFFFAOYSA-N
Molecular Weight 402.399 g/mol
SMILES C1(=C(C(=O)C2=C(C(=C(C=C2O1)OC)OC)OC)OC)C1=C(C=C(C=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977947