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(E)-3-Metyhlcyclotetradec-4-enone

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

(E)-3-Metyhlcyclotetradec-4-enone
SpectraBase Compound ID ET4XaG8lJWu
InChI InChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h9,11,14H,2-8,10,12-13H2,1H3/b11-9+
InChIKey DCKTZZMAELIZAV-PKNBQFBNSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DR5sdd9hVXE
Name (E)-3-Metyhlcyclotetradec-4-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h9,11,14H,2-8,10,12-13H2,1H3/b11-9+
InChIKey DCKTZZMAELIZAV-PKNBQFBNSA-N
Molecular Weight 222.372 g/mol
SMILES C1(=O)CC(\C=C\CCCCCCCCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905129