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Cyclopropane, 1-butyl-2,2-dimethyl-1-phenylethynyl-

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

Cyclopropane, 1-butyl-2,2-dimethyl-1-phenylethynyl-
SpectraBase Compound ID 8pbtPFboNxw
InChI InChI=1S/C17H22/c1-4-5-12-17(14-16(17,2)3)13-11-15-9-7-6-8-10-15/h6-10H,4-5,12,14H2,1-3H3
InChIKey VFJTUNWGNBTCHF-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hwmdqw9Dsdf
Name Cyclopropane, 1-butyl-2,2-dimethyl-1-phenylethynyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.172150708 u
Formula C17H22
InChI InChI=1S/C17H22/c1-4-5-12-17(14-16(17,2)3)13-11-15-9-7-6-8-10-15/h6-10H,4-5,12,14H2,1-3H3
InChIKey VFJTUNWGNBTCHF-UHFFFAOYSA-N
Molecular Weight 226.363 g/mol
SMILES C1C(CCCC)(C#CC2=CC=CC=C2)C1(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916066