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anti-4,4-Dimethyl-1-phenylpentane-1,3-diol
SpectraBase Compound ID 90hxc1bT7x3
InChI InChI=1S/C13H20O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11-12,14-15H,9H2,1-3H3
InChIKey LDKYCWVDNYEZKC-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAuXoEmCftD
Name anti-4,4-Dimethyl-1-phenylpentane-1,3-diol
Alternate Name(s) syn-4,4-Dimethyl-1-phenylpentane-1,3-diol 4,4-Dimethyl-1-phenyl-1,3-pentanediol
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Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11-12,14-15H,9H2,1-3H3
InChIKey LDKYCWVDNYEZKC-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES OC(CC(c1ccccc1)O)C(C)(C)C
SPLASH splash10-0a4i-9400000000-013860243e6aef6a3ba9
Source of Spectrum SO-0-508-3
Wiley ID 876386