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

*Links on SpectraBase are not permalinks.

10,11-Dihydro-2,3,6-trimethoxydibenz(B,F)oxepin-10-one

View entire compound with spectra: 1 FTIR

10,11-Dihydro-2,3,6-trimethoxydibenz(B,F)oxepin-10-one
SpectraBase Compound ID 2c3pnwDPKoz
InChI InChI=1S/C17H16O5/c1-19-13-6-4-5-11-12(18)7-10-8-15(20-2)16(21-3)9-14(10)22-17(11)13/h4-6,8-9H,7H2,1-3H3
InChIKey IYNPUWVRISUMML-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 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 2bcp1ppEtPS
Name 10,11-Dihydro-2,3,6-trimethoxydibenz(B,F)oxepin-10-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.099773610 u
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-19-13-6-4-5-11-12(18)7-10-8-15(20-2)16(21-3)9-14(10)22-17(11)13/h4-6,8-9H,7H2,1-3H3
InChIKey IYNPUWVRISUMML-UHFFFAOYSA-N
SMILES C12=C(OC3=C(CC2=O)C=C(C(=C3)OC)OC)C(=CC=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831045