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1,4-Dimethylcyclododeca-5,11-diyne-1,4-diyl diacetate

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1,4-Dimethylcyclododeca-5,11-diyne-1,4-diyl diacetate
SpectraBase Compound ID FhhfsEUOx5V
InChI InChI=1S/C18H24O4/c1-15(19)21-17(3)11-9-7-5-6-8-10-12-18(4,14-13-17)22-16(2)20/h5-8,13-14H2,1-4H3
InChIKey QTEBHWGOXDMPOR-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7vB266NWlRs
Name 1,4-Dimethylcyclododeca-5,11-diyne-1,4-diyl diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.167459249 u
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-15(19)21-17(3)11-9-7-5-6-8-10-12-18(4,14-13-17)22-16(2)20/h5-8,13-14H2,1-4H3
InChIKey QTEBHWGOXDMPOR-UHFFFAOYSA-N
SMILES C1#CCCCCC#CC(CCC1(OC(=O)C)C)(OC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973446