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(+-)-1-epi-magydardienediol

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

(+-)-1-epi-magydardienediol
SpectraBase Compound ID 3ZTP37RYgE7
InChI InChI=1S/C20H36O2/c1-16(2)9-6-13-20(5,22)14-8-12-19(4)11-7-10-17(3)18(19)15-21/h9-10,18,21-22H,6-8,11-15H2,1-5H3
InChIKey LDQXBUKVIUWVJR-UHFFFAOYSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 53XAYRQWY79
Name (+-)-1-epi-magydardienediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.271530397 u
Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-16(2)9-6-13-20(5,22)14-8-12-19(4)11-7-10-17(3)18(19)15-21/h9-10,18,21-22H,6-8,11-15H2,1-5H3
InChIKey LDQXBUKVIUWVJR-UHFFFAOYSA-N
Molecular Weight 308.506 g/mol
SMILES C=1(C(C(CCCC(O)(CCC=C(C)C)C)(C)CCC1)CO)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957932