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(4Z,7Z)-1-oxacyclotrideca-4,7-dien-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(4Z,7Z)-1-oxacyclotrideca-4,7-dien-2-one
SpectraBase Compound ID 20dCo2nzjxG
InChI InChI=1S/C12H18O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-2,6,8H,3-5,7,9-11H2/b2-1-,8-6-
InChIKey IDCDKEUBOYQTFY-NGNAIVRQSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fo36Rnd4bQT
Name (4Z,7Z)-1-Oxacyclotrideca-4,7-dien-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-2,6,8H,3-5,7,9-11H2/b2-1-,8-6-
InChIKey IDCDKEUBOYQTFY-NGNAIVRQSA-N
Molecular Weight 194.274 g/mol
SMILES C1(OCCCCC\C=C/C\C=C/C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904198