| SpectraBase Compound ID | 8XTQnxQ9o94 |
|---|---|
| InChI | InChI=1S/C25H30N2O2S/c1-3-20-15-21-17-26(16-19-7-5-4-6-8-19)25-23(21)13-14-27(24(20)25)30(28,29)22-11-9-18(2)10-12-22/h3-12,20-21,23-25H,1,13-17H2,2H3/t20-,21+,23+,24-,25-/m0/s1 |
| InChIKey | FQWXQTYDYVMHPB-UHFFFAOYSA-N |
| Mol Weight | 422.59 g/mol |
| Molecular Formula | C25H30N2O2S |
| Exact Mass | 422.202799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8PdhrV7pzkl |
|---|---|
| Name | Tricycle |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30N2O2S |
| InChI | InChI=1S/C25H30N2O2S/c1-3-20-15-21-17-26(16-19-7-5-4-6-8-19)25-23(21)13-14-27(24(20)25)30(28,29)22-11-9-18(2)10-12-22/h3-12,20-21,23-25H,1,13-17H2,2H3/t20-,21+,23+,24-,25-/m0/s1 |
| InChIKey | FQWXQTYDYVMHPB-UHFFFAOYSA-N |
| Molecular Weight | 422.587 g/mol |
| SMILES | [C@]12(N(S(c3ccc(cc3)C)(=O)=O)CC[C@@]3([C@](CN([C@]13[H])Cc1ccccc1)([H])C[C@@]2(C=C)[H])[H])[H] |
| SPLASH | splash10-00kf-9270100000-8b534d98dc26fce6dd16 |
| Source of Spectrum | J-58-4951-42 |
| Wiley ID | 1378694 |