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Phenacylidene diacetate
SpectraBase Compound ID JhahkNphwcp
InChI InChI=1S/C12H12O5/c1-8(13)16-12(17-9(2)14)11(15)10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChIKey LMFOAVVKMLWZOS-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYzBnse58Mq
Name Phenacylidene diacetate
CAS Registry Number 5062-30-6
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 236.068473481 u
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-8(13)16-12(17-9(2)14)11(15)10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChIKey LMFOAVVKMLWZOS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.223 g/mol
Nominal Mass 236 u
Quality 911
Retention Index 1693
SMILES C(C(C1=CC=CC=C1)=O)(OC(=O)C)OC(=O)C
SPLASH splash10-0a4i-6900000000-84ddb69fc099fd454953
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(Acetyloxy)-2-oxo-2-phenylethyl acetate (1-Acetyloxy-2-oxo-2-phenylethyl) acetate
Technique GC/MS
Wiley ID DD2024_010612