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1-Phehylbutan-1,2-dione

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-Phehylbutan-1,2-dione
SpectraBase Compound ID 6IAR33rWac3
InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey PIRWSGXNBGFLEA-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 8I2MjGbjv1h
Name 1-Phehylbutan-1,2-dione
Alternate Name(s) 1-Phenylbutane-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2
InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey PIRWSGXNBGFLEA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201029p
Molecular Weight 162.188 g/mol
SMILES c1cccc(c1)C(C(=O)CC)=O
SPLASH splash10-0a6r-9800000000-aa48c94202917a625e51
Source of Spectrum J-76-6960-2m
Wiley ID 1746776