| SpectraBase Compound ID | 25ULlvMU4VO |
|---|---|
| InChI | InChI=1S/C21H27NO6/c1-22-7-6-20-11-16(27-4)18(28-5)19(23)21(20,24)17(22)9-12-8-14(25-2)15(26-3)10-13(12)20/h8,10,17,24H,6-7,9,11H2,1-5H3/t17-,20-,21+/m1/s1 |
| InChIKey | ZSVCDCCZZTUVMY-UIFIKXQLSA-N |
| Mol Weight | 389.45 g/mol |
| Molecular Formula | C21H27NO6 |
| Exact Mass | 389.183838 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GcKoF7imsJM |
|---|---|
| Name | Tridctyophylline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27NO6 |
| InChI | InChI=1S/C21H27NO6/c1-22-7-6-20-11-16(27-4)18(28-5)19(23)21(20,24)17(22)9-12-8-14(25-2)15(26-3)10-13(12)20/h8,10,17,24H,6-7,9,11H2,1-5H3/t17-,20-,21+/m1/s1 |
| InChIKey | ZSVCDCCZZTUVMY-UIFIKXQLSA-N |
| Molecular Weight | 389.448 g/mol |
| SMILES | O[C@]12[C@@]3(c4cc(OC)c(cc4C[C@]2(N(CC3)C)[H])OC)CC(=C(C1=O)OC)OC |
| SPLASH | splash10-00dr-0019000000-ea269ac4e33fa800e6a3 |
| Source of Spectrum | X2-44-164-3 |
| Wiley ID | 1600850 |