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1-(4-METHYLPHENYL)-1,2-PROPANEDIONE;MPPD
SpectraBase Compound ID 8a6QQPK7mLR
InChI InChI=1S/C10H10O2/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6H,1-2H3
InChIKey QIFQXJRJVNMFLR-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 2pYxQALzK6K
Name 1-(4-Methylphenyl)-1,2-propanedione
CAS Registry Number 1855-08-9
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 162.068079560 u
Formula C10H10O2
InChI InChI=1S/C10H10O2/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6H,1-2H3
InChIKey QIFQXJRJVNMFLR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 162.188 g/mol
Nominal Mass 162 u
Quality 922
Retention Index 1190
SMILES C=1(C(C(=O)C)=O)C=CC(=CC1)C
SPLASH splash10-014l-9300000000-09da5a0108da3f279443
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_014685