| SpectraBase Compound ID | 1IEMqVvc5Yx |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10-/m0/s1 |
| InChIKey | QTYZWFQTOYXFBL-WPRPVWTQSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HhWdvnfQDox |
|---|---|
| Name | (1S,3S)-1-phenylbutane-1,3-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10-/m0/s1 |
| InChIKey | QTYZWFQTOYXFBL-WPRPVWTQSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | O[C@@](C[C@@](O)(C)[H])(c1ccccc1)[H] |
| SPLASH | splash10-0a6r-9700000000-38fab0359dcbf37c32e9 |
| Source of Spectrum | QC-7-3003-3 |
| Wiley ID | 869526 |