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7-(2-Oxiranyl)-1-phenyl-1-heptanone

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

7-(2-Oxiranyl)-1-phenyl-1-heptanone
SpectraBase Compound ID KSVIAgsYCze
InChI InChI=1S/C15H20O2/c16-15(13-8-4-3-5-9-13)11-7-2-1-6-10-14-12-17-14/h3-5,8-9,14H,1-2,6-7,10-12H2
InChIKey ZHQJZJUWXGPMRH-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I0TZuYMIh9R
Name 7-(2-Oxiranyl)-1-phenyl-1-heptanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c16-15(13-8-4-3-5-9-13)11-7-2-1-6-10-14-12-17-14/h3-5,8-9,14H,1-2,6-7,10-12H2
InChIKey ZHQJZJUWXGPMRH-UHFFFAOYSA-N
Molecular Weight 232.323 g/mol
SMILES C1OC1CCCCCCC(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956392