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4-Methyl-6-(2',6',6'-trimethylcyclohex-2'-en-1'-yl)hex-2-yne-1,4-diol

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

4-Methyl-6-(2',6',6'-trimethylcyclohex-2'-en-1'-yl)hex-2-yne-1,4-diol
SpectraBase Compound ID 7AeTkQTAblb
InChI InChI=1S/C16H26O2/c1-13-7-5-9-15(2,3)14(13)8-11-16(4,18)10-6-12-17/h7,14,17-18H,5,8-9,11-12H2,1-4H3
InChIKey ZBIZVNZLGOSBFD-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ANRvHDNMBh
Name 4-Methyl-6-(2',6',6'-trimethylcyclohex-2'-en-1'-yl)hex-2-yne-1,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.193280075 u
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-13-7-5-9-15(2,3)14(13)8-11-16(4,18)10-6-12-17/h7,14,17-18H,5,8-9,11-12H2,1-4H3
InChIKey ZBIZVNZLGOSBFD-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES C1(C(=CCCC1(C)C)C)CCC(C#CCO)(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953106