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3-Phenyl-2-butanone
SpectraBase Compound ID Cob2gU8n788
InChI InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey AKGGYBADQZYZPD-UHFFFAOYSA-N
Mol Weight 148.2 g/mol
Molecular Formula C10H12O
Exact Mass 148.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2muyfHW6xXc
Name Benzylacetone
CAS Registry Number 2550-26-7
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 148.088815005 u
Formula C10H12O
InChI InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey AKGGYBADQZYZPD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 148.205 g/mol
Nominal Mass 148 u
Quality 983
Retention Index 1082
SMILES C1(CCC(=O)C)=CC=CC=C1
SPLASH splash10-054n-7900000000-ab510beacad9d38df13c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Phenyl-2-butanone
Technique GC/MS
Wiley ID DD2024_018586