| SpectraBase Compound ID | ImjiozkQ1he |
|---|---|
| InChI | InChI=1S/C22H32N3S.2C4H9.Al/c26-22(23-20-7-3-1-4-8-20)25(24-9-5-2-6-10-24)21-18-12-16-11-17(14-18)15-19(21)13-16;2*1-4(2)3;/h1,3-4,7-8,16-19,21-22,26H,2,5-6,9-15H2;2*4H,1H2,2-3H3;/q-1;;;+2/p-1/t16-,17+,18-,19+,21-,22?;;; |
| InChIKey | PYTSTZMHMIRRJI-UJVUCDDJSA-M |
| Mol Weight | 510.8 g/mol |
| Molecular Formula | C30H49AlN3S |
| Exact Mass | 510.346258 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 523p6PQfVWA |
|---|---|
| Name | N-(2-adamantyl)-2,2-diisobutyl-3-phenyl-N-(1-piperidyl)-1,3,2lambda4-thiazalumetidin-4-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H49AlN3S |
| InChI | InChI=1S/C22H32N3S.2C4H9.Al/c26-22(23-20-7-3-1-4-8-20)25(24-9-5-2-6-10-24)21-18-12-16-11-17(14-18)15-19(21)13-16;2*1-4(2)3;/h1,3-4,7-8,16-19,21-22,26H,2,5-6,9-15H2;2*4H,1H2,2-3H3;/q-1;;;+2/p-1/t16-,17+,18-,19+,21-,22?;;; |
| InChIKey | PYTSTZMHMIRRJI-UJVUCDDJSA-M |
| Molecular Weight | 510.785 g/mol |
| SMILES | C1(N([Al](S1)(CC(C)C)CC(C)C)c1ccccc1)N(N1CCCCC1)C1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H] |
| SPLASH | splash10-0udi-0340900000-d16895b0796a0a711ca3 |
| Source of Spectrum | U2-2016-2729-10 |
| Wiley ID | 1801142 |