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2-(3-Methylbut-2-enoxy)-1-phenyl-ethanone

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

2-(3-Methylbut-2-enoxy)-1-phenyl-ethanone
SpectraBase Compound ID GddZTbnRyXc
InChI InChI=1S/C13H16O2/c1-11(2)8-9-15-10-13(14)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3
InChIKey MXMQIRYBCYFUOK-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GV1dcAe9hZx
Name 2-(3-Methylbut-2-enoxy)-1-phenyl-ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-11(2)8-9-15-10-13(14)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3
InChIKey MXMQIRYBCYFUOK-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C(=O)(C1=CC=CC=C1)COCC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984949