| SpectraBase Compound ID | FBcNqyGlLBz |
|---|---|
| InChI | InChI=1S/C24H33N3O5/c1-13(10-20-25-24(27-26-20)16-7-5-4-6-8-16)9-18-22(30)21(29)17(12-31-18)11-19-23(32-19)14(2)15(3)28/h4-8,10,14-15,17-19,21-23,28-30H,9,11-12H2,1-3H3,(H,25,26,27)/b13-10+/t14-,15-,17-,18-,19-,21+,22-,23-/m0/s1 |
| InChIKey | KVVSRMVDZGDZQP-BCUOSVNDSA-N |
| Mol Weight | 443.5 g/mol |
| Molecular Formula | C24H33N3O5 |
| Exact Mass | 443.242021 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 75G3YY5vBDl |
|---|---|
| Name | 3-Normonyl-5-phenyl-1H-1,2,4-triazole |
| Alternate Name(s) | (2S,3R,4R)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethyl]-2-[(E)-2-methyl-3-(5-phenyl-1H-[1,2,4]triazol-3-yl)-allyl]-tetrahydro-pyran-3,4-diol (2S,3R,4R)-5-{[(2S,3S)-3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}-2-[(2E)-2-methyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-yl]oxane-3,4-diol (2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-[(E)-2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enyl]oxane-3,4-diol (2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]-2-[(E)-2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enyl]oxane-3,4-diol (2S,3R,4R,5S)-2-[(E)-2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)prop-2-enyl]-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxane-3,4-diol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H33N3O5 |
| InChI | InChI=1S/C24H33N3O5/c1-13(10-20-25-24(27-26-20)16-7-5-4-6-8-16)9-18-22(30)21(29)17(12-31-18)11-19-23(32-19)14(2)15(3)28/h4-8,10,14-15,17-19,21-23,28-30H,9,11-12H2,1-3H3,(H,25,26,27)/b13-10+/t14-,15-,17-,18-,19-,21+,22-,23-/m0/s1 |
| InChIKey | KVVSRMVDZGDZQP-BCUOSVNDSA-N |
| Molecular Weight | 443.544 g/mol |
| SMILES | O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1nc(-c2ccccc2)[nH]n1)C)[H])[H])[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-0002-0900100000-78d2a3fbdb33270958ae |
| Source of Spectrum | KC-0-2664-3 |
| Wiley ID | 782300 |