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

*Links on SpectraBase are not permalinks.
[4,4'-Bi-2H-1-benzopyran]-2,2'-dione, 3,3'-bis[1-(acetyloxy)ethylidene]-3,3',4,4'-tetrahydro-
SpectraBase Compound ID GKuUq3lOIXF
InChI InChI=1S/C26H22O8/c1-13(31-15(3)27)21-23(17-9-5-7-11-19(17)33-25(21)29)24-18-10-6-8-12-20(18)34-26(30)22(24)14(2)32-16(4)28/h5-12,23-24H,1-4H3/b21-13-,22-14+
InChIKey VBDASTSQIHBEQO-VOKWCDJLSA-N
Mol Weight 462.45 g/mol
Molecular Formula C26H22O8
Exact Mass 462.131468 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 ECU7sr1iWBk
Name [4,4'-Bi-2H-1-benzopyran]-2,2'-dione, 3,3'-bis[1-(acetyloxy)ethylidene]-3,3',4,4'-tetrahydro-
Alternate Name(s) 1-[(3Z)-4-[(3E)-3-[1-(acetyloxy)ethylidene]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]ethyl acetate 3,3'-bis(1-acetoxy-ethylidene)-3,3',4,4'-tetrahydro-4,4'-bicumarin
CAS Registry Number 59743-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22O8
InChI InChI=1S/C26H22O8/c1-13(31-15(3)27)21-23(17-9-5-7-11-19(17)33-25(21)29)24-18-10-6-8-12-20(18)34-26(30)22(24)14(2)32-16(4)28/h5-12,23-24H,1-4H3/b21-13-,22-14+
InChIKey VBDASTSQIHBEQO-VOKWCDJLSA-N
Molecular Weight 462.454 g/mol
SMILES C1(\C(C(c2c(O1)cccc2)C1\C(C(=O)Oc2c1cccc2)=C\(OC(=O)C)C)=C\(OC(=O)C)C)=O
SPLASH splash10-000i-2900000000-b1bc2033900c204fafd2
Source of Spectrum H-59-838-3
Wiley ID 1391071