| SpectraBase Compound ID | LQ43KMtyrL7 |
|---|---|
| InChI | InChI=1S/C18H17F3O4/c19-18(20,21)16(22)15(12-24-11-13-7-3-1-4-8-13)25-17(23)14-9-5-2-6-10-14/h1-10,15-16,22H,11-12H2/t15-,16-/m1/s1 |
| InChIKey | QJDDXXVNIZAKCI-HZPDHXFCSA-N |
| Mol Weight | 354.33 g/mol |
| Molecular Formula | C18H17F3O4 |
| Exact Mass | 354.107894 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | XPijtr2ki |
|---|---|
| Name | (2R,3R)-Benzoic acid 1-Benzyloxymethyl-3,3,3-trifluoro-2-hydroxypropyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17F3O4 |
| InChI | InChI=1S/C18H17F3O4/c19-18(20,21)16(22)15(12-24-11-13-7-3-1-4-8-13)25-17(23)14-9-5-2-6-10-14/h1-10,15-16,22H,11-12H2/t15-,16-/m1/s1 |
| InChIKey | QJDDXXVNIZAKCI-HZPDHXFCSA-N |
| Molecular Weight | 354.325 g/mol |
| SMILES | O[C@@](C(F)(F)F)([C@](OC(=O)c1ccccc1)(COCc1ccccc1)[H])[H] |
| SPLASH | splash10-0a4l-9700000000-ca7654e0db6bb1e3ad70 |
| Source of Spectrum | F-69-5488-4 |
| Synonyms | (1R,2R)-1-[(benzyloxy)methyl]-3,3,3-trifluoro-2-hydroxypropyl benzoate benzoic acid[(1R,2R)-1-(benzoxymethyl)-3,3,3-trifluoro-2-hydroxy-propyl]ester benzoic acid[(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]ester [(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]benzoate [(2R,3R)-4,4,4-tris(fluoranyl)-3-oxidanyl-1-phenylmethoxy-butan-2-yl]benzoate benzoic acid [(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl] ester [(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl] benzoate [(1R,2R)-1-(benzyloxymethyl)-3,3,3-trifluoro-2-hydroxy-propyl] benzoate [(2R,3R)-4,4,4-tris(fluoranyl)-3-oxidanyl-1-phenylmethoxy-butan-2-yl] benzoate |
| Wiley ID | 1595403 |