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2-(cyclohexylmethyl)-1-phenylpropane-1,3-diol (1:6 syn/anti mixture)
SpectraBase Compound ID 1wZsLxzDU3i
InChI InChI=1S/C16H24O2/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-18H,1,3-4,7-8,11-12H2
InChIKey KUNIPWAAFGZUGH-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qSK5NeLbit
Name 2-(cyclohexylmethyl)-1-phenylpropane-1,3-diol (1:6 syn/anti mixture)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-18H,1,3-4,7-8,11-12H2
InChIKey KUNIPWAAFGZUGH-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES OC(C(CO)CC1CCCCC1)c1ccccc1
SPLASH splash10-0a4i-4900000000-d6c8dfc564d9da768017
Source of Spectrum B-47-2187-0
Synonyms anti-2-(cyclohexylmethyl)-1-phenylpropane-1,3-diol 2-(cyclohexylmethyl)-1-phenyl-1,3-propanediol
Wiley ID 1251667