| SpectraBase Compound ID | 8dOBHXxrMzr |
|---|---|
| InChI | InChI=1S/C21H24N2O9S/c1-11-17(29-12(2)24)18(30-13(3)25)19(31-14(4)26)20(28-11)32-16-7-5-15(6-8-16)9-23-21(33)27-10-22/h5-8,11,17-20H,9H2,1-4H3,(H,23,33)/t11-,17+,18-,19-,20+/m1/s1 |
| InChIKey | BKDGTVDSHNHIIF-NFUVXAPKSA-N |
| Mol Weight | 480.49 g/mol |
| Molecular Formula | C21H24N2O9S |
| Exact Mass | 480.120252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8uQpcmrY4ih |
|---|---|
| Name | Triacetyl-niazidin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O9S |
| InChI | InChI=1S/C21H24N2O9S/c1-11-17(29-12(2)24)18(30-13(3)25)19(31-14(4)26)20(28-11)32-16-7-5-15(6-8-16)9-23-21(33)27-10-22/h5-8,11,17-20H,9H2,1-4H3,(H,23,33)/t11-,17+,18-,19-,20+/m1/s1 |
| InChIKey | BKDGTVDSHNHIIF-NFUVXAPKSA-N |
| Molecular Weight | 480.488 g/mol |
| SMILES | N(C(OC#N)=S)Cc1ccc(O[C@]2([C@@]([C@@]([C@@](OC(=O)C)([C@](O2)(C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])cc1 |
| SPLASH | splash10-0ir0-0920000000-61fc1f60f08fbd28bc8e |
| Source of Spectrum | G4-60-1321-2 |
| Wiley ID | 1606999 |