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

*Links on SpectraBase are not permalinks.

Diethyl 3-methyl-1,3-dihydro-2-benzoxepine-1,4-dicarboxylate

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

Diethyl 3-methyl-1,3-dihydro-2-benzoxepine-1,4-dicarboxylate
SpectraBase Compound ID GVopzbDayah
InChI InChI=1S/C17H20O5/c1-4-20-16(18)14-10-12-8-6-7-9-13(12)15(22-11(14)3)17(19)21-5-2/h6-11,15H,4-5H2,1-3H3
InChIKey ZUDRMJURDSJIKJ-UHFFFAOYSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 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 8EeTkaFMQeI
Name Diethyl 3-methyl-1,3-dihydro-2-benzoxepine-1,4-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.131073739 u
Formula C17H20O5
InChI InChI=1S/C17H20O5/c1-4-20-16(18)14-10-12-8-6-7-9-13(12)15(22-11(14)3)17(19)21-5-2/h6-11,15H,4-5H2,1-3H3
InChIKey ZUDRMJURDSJIKJ-UHFFFAOYSA-N
Molecular Weight 304.342 g/mol
SMILES C1(OC(C=2C(C=C1C(=O)OCC)=CC=CC2)C(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960694