| SpectraBase Compound ID | BwGAtGx5n1e |
|---|---|
| InChI | InChI=1S/C34H42N6O/c35-28-37-34(36-18-11-25-41-32-17-10-12-29(26-32)27-38-19-8-3-9-20-38)40-23-21-39(22-24-40)33(30-13-4-1-5-14-30)31-15-6-2-7-16-31/h1-2,4-7,10,12-17,26,33H,3,8-9,11,18-25,27H2,(H,36,37) |
| InChIKey | VFNYYFAPMTVTFP-UHFFFAOYSA-N |
| Mol Weight | 550.8 g/mol |
| Molecular Formula | C34H42N6O |
| Exact Mass | 550.34201 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CqExG9D5XGo |
|---|---|
| Name | 4-Benzhydryl-N'-cyano-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)piperazine-1-carboximidamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H42N6O |
| InChI | InChI=1S/C34H42N6O/c35-28-37-34(36-18-11-25-41-32-17-10-12-29(26-32)27-38-19-8-3-9-20-38)40-23-21-39(22-24-40)33(30-13-4-1-5-14-30)31-15-6-2-7-16-31/h1-2,4-7,10,12-17,26,33H,3,8-9,11,18-25,27H2,(H,36,37) |
| InChIKey | VFNYYFAPMTVTFP-UHFFFAOYSA-N |
| Molecular Weight | 550.751 g/mol |
| SMILES | N(C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)=NC#N)CCCOc1cccc(c1)CN1CCCCC1 |
| SPLASH | splash10-0159-7900000000-976f19b3b9e64be1e03b |
| Source of Spectrum | APC-327-461-11 |
| Wiley ID | 1799137 |