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

*Links on SpectraBase are not permalinks.

4-Methoxycarbonyl-4-(4-methoxyphenyl)-2H-1-benzopyran-3(4H)-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Methoxycarbonyl-4-(4-methoxyphenyl)-2H-1-benzopyran-3(4H)-one
SpectraBase Compound ID 3wBiRVCe1aU
InChI InChI=1S/C18H16O5/c1-21-13-9-7-12(8-10-13)18(17(20)22-2)14-5-3-4-6-15(14)23-11-16(18)19/h3-10H,11H2,1-2H3
InChIKey XMGHPIGTAHBCEA-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID Ib47xbbTmWu
Name 4-Methoxycarbonyl-4-(4-methoxyphenyl)-2H-1-benzopyran-3(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.099773610 u
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-21-13-9-7-12(8-10-13)18(17(20)22-2)14-5-3-4-6-15(14)23-11-16(18)19/h3-10H,11H2,1-2H3
InChIKey XMGHPIGTAHBCEA-UHFFFAOYSA-N
SMILES C1C(C(C=2C(O1)=CC=CC2)(C=1C=CC(=CC1)OC)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926799