| SpectraBase Compound ID | 7NfzGdd73hP |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-2-9-8-11(13)14-12(9)10-6-4-3-5-7-10/h3-7,9,12H,2,8H2,1H3/t9-,12+/m0/s1 |
| InChIKey | RHLRECDBUBEGGD-JOYOIKCWSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSr15Wr40tn |
|---|---|
| Name | (3S,4R)-3-Ethyl-4-phenylbutan-4-olide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-2-9-8-11(13)14-12(9)10-6-4-3-5-7-10/h3-7,9,12H,2,8H2,1H3/t9-,12+/m0/s1 |
| InChIKey | RHLRECDBUBEGGD-JOYOIKCWSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1(O[C@]([C@](C1)(CC)[H])(C1=CC=CC=C1)[H])=O |