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1,3-Dioxepane

View entire compound with spectra: 22 NMR, 3 FTIR, and 2 MS (GC)

1,3-Dioxepane
SpectraBase Compound ID j9r7c2tNUz
InChI InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2
InChIKey CZLMRJZAHXYRIX-UHFFFAOYSA-N
Mol Weight 102.13 g/mol
Molecular Formula C5H10O2
Exact Mass 102.06808 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 61wSCyqVHGY
Name 1,3-Dioxepane
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 449040
CAS Registry Number 505-65-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10O2
InChI InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2
InChIKey CZLMRJZAHXYRIX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Tetramethylene formal 1,3-Dioxepin, tetrahydro-
Wiley ID SIAL_13CNMR_009897