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4,7-dihydro-1,3-dioxepin

View entire compound with spectra: 6 NMR, 3 FTIR, and 2 MS (GC)

4,7-dihydro-1,3-dioxepin
SpectraBase Compound ID GK29ScgtxCR
InChI InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2
InChIKey BAKUAUDFCNFLBX-UHFFFAOYSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7azJVwULdF
Name 1,3-Dioxepin, 4,7-dihydro-
Alternate Name(s) 1,3-Dioxep-5-ene 4,7-Dihydro-1,3-dioxepine 4,7-Dihydro-1,3-dioxepin AI3-24667
CAS Registry Number 5417-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2
InChIKey BAKUAUDFCNFLBX-UHFFFAOYSA-N
Molecular Weight 100.117 g/mol
SMILES C1OCC=CCO1
SPLASH splash10-0006-9000000000-95cf61dfa699d2cc1e48
Source of Spectrum AA-0-247-3
Wiley ID 1703