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3-epi-Cedrenol, methyl ether

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

3-epi-Cedrenol, methyl ether
SpectraBase Compound ID 86QERsY5AGG
InChI InChI=1S/C16H26O/c1-11-5-6-14-15(2,3)13-9-16(11,14)8-7-12(13)10-17-4/h7,11,13-14H,5-6,8-10H2,1-4H3
InChIKey GYDKKDMDDTUFPL-UHFFFAOYSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bp4rOxtUkgi
Name 3-epi-Cedrenol, methyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.198365456 u
Formula C16H26O
InChI InChI=1S/C16H26O/c1-11-5-6-14-15(2,3)13-9-16(11,14)8-7-12(13)10-17-4/h7,11,13-14H,5-6,8-10H2,1-4H3
InChIKey GYDKKDMDDTUFPL-UHFFFAOYSA-N
Molecular Weight 234.383 g/mol
SMILES COCC=1C2CC3(C(CCC3C)C2(C)C)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836187