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1,4-Diacetoxy-butane
SpectraBase Compound ID 7z2NKweQctN
InChI InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
InChIKey XUKSWKGOQKREON-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkIjW8hFRaa
Name 1,4-Butanediol diacetate
CAS Registry Number 628-67-1
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one 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 174.089208927 u
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
InChIKey XUKSWKGOQKREON-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 174.196 g/mol
Nominal Mass 174 u
Quality 993
Retention Index 1176
SMILES C(OCCCCOC(=O)C)(=O)C
SPLASH splash10-0006-9000000000-7e120e53ea9f4b94af45
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(Acetyloxy)butyl acetate 1,4-Butylene glycol diacetate Tetramethylene acetate 4-Acetyloxybutyl acetate
Technique GC/MS
Wiley ID DD2024_009115