SpectraBase Compound ID | IRKYxNuMgTw |
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InChI | InChI=1S/C12H14O3/c1-8-10(13)7-11(14)15-12(8)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7H2,1H3/t8-,10-,12-/m1/s1 |
InChIKey | DMLRSYCDYQHXJS-HLUHBDAQSA-N |
Mol Weight | 206.24 g/mol |
Molecular Formula | C12H14O3 |
Exact Mass | 206.094294 g/mol |
SpectraBase Spectrum ID | FyN1VBV9Lxp |
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Name | (4R,5R,6R)-4-Hydroxy-5-methyl-6-phenyl-2-oxanone |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 206.094294308 u |
Formula | C12H14O3 |
InChI | InChI=1S/C12H14O3/c1-8-10(13)7-11(14)15-12(8)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7H2,1H3/t8-,10-,12-/m1/s1 |
InChIKey | DMLRSYCDYQHXJS-HLUHBDAQSA-N |
Molecular Weight | 206.241 g/mol |
SMILES | [C@@]1(OC(=O)C[C@]([C@]1(C)[H])(O)[H])(C=1C=CC=CC1)[H] |