| SpectraBase Compound ID | Ax0Sa0p3NUz |
|---|---|
| InChI | InChI=1S/C18H16F3N3O3/c19-18(20,21)16(23-24-22)15(12-26-11-13-7-3-1-4-8-13)27-17(25)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1 |
| InChIKey | NCCDCNFMYZSHJL-CVEARBPZSA-N |
| Mol Weight | 379.34 g/mol |
| Molecular Formula | C18H16F3N3O3 |
| Exact Mass | 379.114376 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6pR4XaMwmHR |
|---|---|
| Name | (2S,3S)-Benzoic acid 2-azido-1-benzyloxymethyl-3,3,3-trifluoropropyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16F3N3O3 |
| InChI | InChI=1S/C18H16F3N3O3/c19-18(20,21)16(23-24-22)15(12-26-11-13-7-3-1-4-8-13)27-17(25)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1 |
| InChIKey | NCCDCNFMYZSHJL-CVEARBPZSA-N |
| Molecular Weight | 379.339 g/mol |
| SMILES | C([C@]([C@](OC(=O)c1ccccc1)(COCc1ccccc1)[H])(N=[N+]=[N-])[H])(F)(F)F |
| SPLASH | splash10-0a4l-8910000000-d311aa1a9844e73ad538 |
| Source of Spectrum | F-69-5489-6 |
| Synonyms | (1S,2S)-2-azido-1-[(benzyloxy)methyl]-3,3,3-trifluoropropyl benzoate benzoic acid[(1S,2S)-2-azido-1-(benzoxymethyl)-3,3,3-trifluoro-propyl]ester benzoic acid[(2S,3S)-3-azido-4,4,4-trifluoro-1-phenylmethoxybutan-2-yl]ester [(2S,3S)-3-azido-4,4,4-trifluoro-1-phenylmethoxybutan-2-yl]benzoate [(2S,3S)-3-azido-4,4,4-tris(fluoranyl)-1-phenylmethoxy-butan-2-yl]benzoate benzoic acid [(2S,3S)-3-azido-4,4,4-trifluoro-1-phenylmethoxybutan-2-yl] ester [(2S,3S)-3-azido-4,4,4-trifluoro-1-phenylmethoxybutan-2-yl] benzoate [(1S,2S)-2-azido-1-(benzyloxymethyl)-3,3,3-trifluoro-propyl] benzoate [(2S,3S)-3-azido-4,4,4-tris(fluoranyl)-1-phenylmethoxy-butan-2-yl] benzoate |
| Wiley ID | 1595396 |