| SpectraBase Compound ID | 6b7WA31SY2Y |
|---|---|
| InChI | InChI=1S/C21H28INO2/c1-3-5-15-6-8-16(9-7-15)18-14-17-10-11-19(20(18)21(24)25-2)23(17)13-4-12-22/h4,6-9,12,17-20H,3,5,10-11,13-14H2,1-2H3/b12-4+/t17-,18-,19-,20+/m1/s1 |
| InChIKey | LRZIIDDMLMCOJY-LEUBWSOLSA-N |
| Mol Weight | 453.36 g/mol |
| Molecular Formula | C21H28INO2 |
| Exact Mass | 453.116474 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B7XRNfrdPaW |
|---|---|
| Name | N-(3-Iodoprop-2(E)-enyl)-2.beta.-carbomethoxy-3.beta.-(4'-n-propylphenyl)nortropane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28INO2 |
| InChI | InChI=1S/C21H28INO2/c1-3-5-15-6-8-16(9-7-15)18-14-17-10-11-19(20(18)21(24)25-2)23(17)13-4-12-22/h4,6-9,12,17-20H,3,5,10-11,13-14H2,1-2H3/b12-4+/t17-,18-,19-,20+/m1/s1 |
| InChIKey | LRZIIDDMLMCOJY-LEUBWSOLSA-N |
| Molecular Weight | 453.364 g/mol |
| SMILES | [C@@]1([C@@]2(N(C\C=C\I)[C@@](C[C@@]1(c1ccc(cc1)CCC)[H])(CC2)[H])[H])(C(=O)OC)[H] |
| SPLASH | splash10-00bi-0798300000-98bd575b7c5fc9071436 |
| Source of Spectrum | E1-40-1371-3 |
| Wiley ID | 1599219 |