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Bissaone

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

Bissaone
SpectraBase Compound ID 5eWENRtlJkf
InChI InChI=1S/C20H32O2/c1-15(2)8-7-9-17(5)11-13-19(12-10-16(3)4)20(22)14-18(6)21/h8,10-11,19H,7,9,12-14H2,1-6H3/b17-11+
InChIKey BHIXYSIMAANYBF-GZTJUZNOSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6sUTn57wF7W
Name Bissaone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-15(2)8-7-9-17(5)11-13-19(12-10-16(3)4)20(22)14-18(6)21/h8,10-11,19H,7,9,12-14H2,1-6H3/b17-11+
InChIKey BHIXYSIMAANYBF-GZTJUZNOSA-N
Molecular Weight 304.474 g/mol
SMILES C(CC(=O)C)(=O)C(C\C=C\(CCC=C(C)C)C)CC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954559