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2-(1,2-Epoxycyclododecyl)-3-nonyn-2-ol

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

2-(1,2-Epoxycyclododecyl)-3-nonyn-2-ol
SpectraBase Compound ID OOpGVa7sUM
InChI InChI=1S/C21H36O2/c1-3-4-5-11-14-17-20(2,22)21-18-15-12-9-7-6-8-10-13-16-19(21)23-21/h19,22H,3-13,15-16,18H2,1-2H3
InChIKey BJIMDOMNESDWCH-UHFFFAOYSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LlR8rzSckba
Name 2-(1,2-Epoxycyclododecyl)-3-nonyn-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.271530397 u
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-3-4-5-11-14-17-20(2,22)21-18-15-12-9-7-6-8-10-13-16-19(21)23-21/h19,22H,3-13,15-16,18H2,1-2H3
InChIKey BJIMDOMNESDWCH-UHFFFAOYSA-N
Molecular Weight 320.517 g/mol
SMILES C12(OC2CCCCCCCCCC1)C(C#CCCCCC)(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8932