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1-(4-Propylphenyl)propanone
SpectraBase Compound ID 5VjW8YnJo2q
InChI InChI=1S/C12H16O/c1-3-5-10-6-8-11(9-7-10)12(13)4-2/h6-9H,3-5H2,1-2H3
InChIKey FDSYYILHBJMPTN-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HVLqpJEw52
Name 1-(4-Propylphenyl)propanone
Classification Pharmaceutical drug precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-5-10-6-8-11(9-7-10)12(13)4-2/h6-9H,3-5H2,1-2H3
InChIKey FDSYYILHBJMPTN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 176.259 g/mol
Nominal Mass 176 u
Quality 855
Retention Index 1469
SMILES C=1(C(CC)=O)C=CC(=CC1)CCC
SPLASH splash10-0005-8900000000-0ede5b71c72f9b85e76d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-Propylphenyl)propan-1-one
Technique GC/MS
Wiley ID DD2024_003780