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1,3-Butanediol diacetate
SpectraBase Compound ID Aw2SKsvKvgf
InChI InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
InChIKey MPAGVACEWQNVQO-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 JGsHAOgJfHs
Name 1,3-Butandiol 2AC
CAS Registry Number 1117-31-3
Classification Chemical
Comments 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/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
InChIKey MPAGVACEWQNVQO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 174.196 g/mol
Nominal Mass 174 u
Quality 910
Retention Index 1196
SMILES C(OC(=O)C)(CCOC(=O)C)C
SPLASH splash10-0006-9000000000-dc3c2fed5aa223b66524
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Butane-1,3-diyl diacetate
Technique GC/MS
Wiley ID DD2024_000380