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(E)-2-(4-Methylphenyl)methylenecyclobutanone

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

(E)-2-(4-Methylphenyl)methylenecyclobutanone
SpectraBase Compound ID DNJZwlwSwv7
InChI InChI=1S/C12H12O/c1-9-2-4-10(5-3-9)8-11-6-7-12(11)13/h2-5,8H,6-7H2,1H3/b11-8+
InChIKey KGWYISZGNAZCEQ-DHZHZOJOSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ucsHsmmTat
Name (E)-2-(4-Methylphenyl)methylenecyclobutanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.088815005 u
Formula C12H12O
InChI InChI=1S/C12H12O/c1-9-2-4-10(5-3-9)8-11-6-7-12(11)13/h2-5,8H,6-7H2,1H3/b11-8+
InChIKey KGWYISZGNAZCEQ-DHZHZOJOSA-N
Molecular Weight 172.227 g/mol
SMILES C1(=CC=C(C)C=C1)\C=C\1C(CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804191