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Propan-2-ol, 2-(2,2-dimethyl-1-phenylethynylcyclopropyl)-

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

Propan-2-ol, 2-(2,2-dimethyl-1-phenylethynylcyclopropyl)-
SpectraBase Compound ID A3E562kncsy
InChI InChI=1S/C16H20O/c1-14(2)12-16(14,15(3,4)17)11-10-13-8-6-5-7-9-13/h5-9,17H,12H2,1-4H3
InChIKey XNQPNTSNTNIDLH-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 21zNCNGRY2I
Name Propan-2-ol, 2-(2,2-dimethyl-1-phenylethynylcyclopropyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.151415263 u
Formula C16H20O
InChI InChI=1S/C16H20O/c1-14(2)12-16(14,15(3,4)17)11-10-13-8-6-5-7-9-13/h5-9,17H,12H2,1-4H3
InChIKey XNQPNTSNTNIDLH-UHFFFAOYSA-N
Molecular Weight 228.335 g/mol
SMILES C1(C(C)(C)C1)(C(O)(C)C)C#CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933479