![3-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl]triazole-4-carboxylic acid ethyl ester](/api/spectrum/5RmglVj2YWD/structure.png?h=300&w=458 "3-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl]triazole-4-carboxylic acid ethyl ester")
| SpectraBase Compound ID | HcB0nkfdWU6 |
|---|---|
| InChI | InChI=1S/C13H19N3O5/c1-5-18-11(17)8-6-14-15-16(8)9-7(2)19-12-10(9)20-13(3,4)21-12/h6-7,9-10,12H,5H2,1-4H3/t7-,9+,10-,12-/m1/s1 |
| InChIKey | FFHMNQUKROMWRM-DLYFRVTGSA-N |
| Mol Weight | 297.31 g/mol |
| Molecular Formula | C13H19N3O5 |
| Exact Mass | 297.132471 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5RmglVj2YWD |
|---|---|
| Name | Ethyl 1-[2-Methyl-4,5-(isopropylidenedioxytetrahydrofuran-3-yl]-1,2,3-triazole-5-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19N3O5 |
| InChI | InChI=1S/C13H19N3O5/c1-5-18-11(17)8-6-14-15-16(8)9-7(2)19-12-10(9)20-13(3,4)21-12/h6-7,9-10,12H,5H2,1-4H3/t7-,9+,10-,12-/m1/s1 |
| InChIKey | FFHMNQUKROMWRM-DLYFRVTGSA-N |
| Molecular Weight | 297.311 g/mol |
| SMILES | [C@]1([n]2c(C(=O)OCC)cnn2)([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1(C)[H])[H])[H])[H] |
| SPLASH | splash10-0002-8950000000-f7edda2e7022209be5fe |
| Source of Spectrum | J-66-3723-33 |
| Synonyms | 3-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-4-triazolecarboxylic acid ethyl ester Ethyl 3-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4-carboxylate Ethyl 3-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-1,2,3-triazole-4-carboxylate |
| Wiley ID | 1535259 |