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

*Links on SpectraBase are not permalinks.

3-[(E)-prop-1-enyl]-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,3]dioxepin

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

3-[(E)-prop-1-enyl]-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,3]dioxepin
SpectraBase Compound ID 5srPkLtN5GC
InChI InChI=1S/C12H20O2/c1-2-5-12-13-8-10-6-3-4-7-11(10)9-14-12/h2,5,10-12H,3-4,6-9H2,1H3/b5-2+
InChIKey PWUPQWQQMRUTGZ-GORDUTHDSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 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 EQOg4I8RvWo
Name 3-[(E)-Prop-1-enyl]-1,5,5A,6,7,8,9,9A-octahydrobenzo[E][1,3]dioxepin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-2-5-12-13-8-10-6-3-4-7-11(10)9-14-12/h2,5,10-12H,3-4,6-9H2,1H3/b5-2+
InChIKey PWUPQWQQMRUTGZ-GORDUTHDSA-N
Molecular Weight 196.290 g/mol
SMILES C1(OCC2C(CO1)CCCC2)\C=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919383