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1,2-Propanediol diacetate
SpectraBase Compound ID L5ruwXx22lt
InChI InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
InChIKey MLHOXUWWKVQEJB-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C7H12O4
Exact Mass 160.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JBrOFmE0aO
Name 1,2-Propanediol 2AC
CAS Registry Number 623-84-7
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 160.073558862 u
Formula C7H12O4
InChI InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
InChIKey MLHOXUWWKVQEJB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 160.169 g/mol
Nominal Mass 160 u
Quality 885
Retention Index 1095
SMILES C(OC(=O)C)(COC(=O)C)C
SPLASH splash10-0006-9000000000-b811922cf694f6961d53
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(acetyloxy)propan-2-yl acetate
Technique GC/MS
Wiley ID DD2024_003756