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Jaeskeanadiol, ac derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

Jaeskeanadiol, ac derivative
SpectraBase Compound ID 5LZknAGh8E2
InChI InChI=1S/C17H28O3/c1-11(2)17(19)9-8-16(5)7-6-12(3)10-14(15(16)17)20-13(4)18/h6,11,14-15,19H,7-10H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKey AKUBRLUPCXXZDM-VVLHAWIVSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2oG7kncwUWQ
Name Jaeskeanadiol, ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.203844759 u
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-11(2)17(19)9-8-16(5)7-6-12(3)10-14(15(16)17)20-13(4)18/h6,11,14-15,19H,7-10H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKey AKUBRLUPCXXZDM-VVLHAWIVSA-N
SMILES [C@]12([C@@](CC[C@@]2(CC=C(C)C[C@@]1(OC(=O)C)[H])C)(C(C)C)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879841