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bis(Allyl) 3'-[(allyloxy)methyl]-5',5'-dimethylhexane-2',4'-diyl diether
SpectraBase Compound ID 9eZVx5QJJhS
InChI InChI=1S/C18H32O3/c1-8-11-19-14-16(15(4)20-12-9-2)17(18(5,6)7)21-13-10-3/h8-10,15-17H,1-3,11-14H2,4-7H3/t15-,16+,17-/m1/s1
InChIKey ZWRRGUYAJHTVAJ-IXDOHACOSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9wKixNXHifs
Name bis(Allyl) 3'-[(allyloxy)methyl]-5',5'-dimethylhexane-2',4'-diyl diether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.235144887 u
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-8-11-19-14-16(15(4)20-12-9-2)17(18(5,6)7)21-13-10-3/h8-10,15-17H,1-3,11-14H2,4-7H3/t15-,16+,17-/m1/s1
InChIKey ZWRRGUYAJHTVAJ-IXDOHACOSA-N
SMILES [C@]([C@](C(C)(C)C)(OCC=C)[H])([C@](OCC=C)(C)[H])(COCC=C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828597