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1,3-Diacetylbenzene
SpectraBase Compound ID 85lIo36O4UL
InChI InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
InChIKey VCHOFVSNWYPAEF-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FQbN8xqFhA
Name 1,3-Diacetylbenzene
CAS Registry Number 6781-42-6
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 162.068079560 u
Formula C10H10O2
InChI InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
InChIKey VCHOFVSNWYPAEF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 162.188 g/mol
Nominal Mass 162 u
Quality 906
Retention Index 1179
SMILES C=1(C=C(C(=O)C)C=CC1)C(=O)C
SPLASH splash10-0002-6900000000-2316a8570c82b6e23b22
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,1'-(1,3-Phenylene)diethanone
Technique GC/MS
Wiley ID DD2024_018291