SpectraBase Compound ID | 2VEs0hpVrUm |
---|---|
InChI | InChI=1S/C12H18O2/c1-10(14)8-12(2,9-13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t10-,12+/m1/s1 |
InChIKey | KTCLPCBIRSXYAO-PWSUYJOCSA-N |
Mol Weight | 194.27 g/mol |
Molecular Formula | C12H18O2 |
Exact Mass | 194.13068 g/mol |
SpectraBase Spectrum ID | I8cwC2cRiEG |
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Name | (2R,4R)-2-Methyl-2-phenylpentane-1,4-diol |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 194.130679818 u |
Formula | C12H18O2 |
InChI | InChI=1S/C12H18O2/c1-10(14)8-12(2,9-13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t10-,12+/m1/s1 |
InChIKey | KTCLPCBIRSXYAO-PWSUYJOCSA-N |
Molecular Weight | 194.274 g/mol |
SMILES | [C@](C[C@](O)(C)[H])(C1=CC=CC=C1)(CO)C |