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2-(Cyclohexylmethyl)-1-(1-naphthyl)propane-1,3-diol (1:3 syn/anti mixture)
SpectraBase Compound ID 3MgZ5WTd83a
InChI InChI=1S/C20H26O2/c21-14-17(13-15-7-2-1-3-8-15)20(22)19-12-6-10-16-9-4-5-11-18(16)19/h4-6,9-12,15,17,20-22H,1-3,7-8,13-14H2
InChIKey KDFQUYWKDZRPOI-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8t3d1ukOlgH
Name 2-(cyclohexylmethyl)-1-(1-naphthyl)propane-1,3-diol (1:3 syn/anti mixture)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c21-14-17(13-15-7-2-1-3-8-15)20(22)19-12-6-10-16-9-4-5-11-18(16)19/h4-6,9-12,15,17,20-22H,1-3,7-8,13-14H2
InChIKey KDFQUYWKDZRPOI-UHFFFAOYSA-N
Molecular Weight 298.426 g/mol
SMILES OCC(C(c1c2c(cccc2)ccc1)O)CC1CCCCC1
SPLASH splash10-0a4i-0900000000-4d9b2dff782d89658114
Source of Spectrum B-47-2187-0
Synonyms 2-(cyclohexylmethyl)-1-(1-naphthyl)-1,3-propanediol
Wiley ID 1301528