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1,4-Dioxane
SpectraBase Compound ID 1nn3WEpGu9C
InChI InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey RYHBNJHYFVUHQT-UHFFFAOYSA-N
Mol Weight 88.11 g/mol
Molecular Formula C4H8O2
Exact Mass 88.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VwfASPwvWS
Name Dioxane
CAS Registry Number 123-91-1
Classification Solvent
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 88.052429496 u
Formula C4H8O2
InChI InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey RYHBNJHYFVUHQT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 88.106 g/mol
Nominal Mass 88 u
Quality 964
Retention Index 631
SMILES C1OCCOC1
SPLASH splash10-0a4r-9000000000-9e1ee9a9f1f62e78867b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Diethylene ether p-Dioxane 1,4-dioxane
Technique GC/MS
Wiley ID DD2024_032548