| SpectraBase Compound ID | FnOdEFEOf6J |
|---|---|
| InChI | InChI=1S/C27H37N/c1-4-6-12-19-28(20-13-7-5-2)21-18-27-25-16-10-8-14-23(25)22(3)24-15-9-11-17-26(24)27/h8-11,14-17H,4-7,12-13,18-21H2,1-3H3 |
| InChIKey | MRSPALAAIZLTJL-UHFFFAOYSA-N |
| Mol Weight | 375.6 g/mol |
| Molecular Formula | C27H37N |
| Exact Mass | 375.2926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27fH6RicRxU |
|---|---|
| Name | 2C-D-Anth 2pe |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.292600195 u |
| Formula | C27H37N |
| InChI | InChI=1S/C27H37N/c1-4-6-12-19-28(20-13-7-5-2)21-18-27-25-16-10-8-14-23(25)22(3)24-15-9-11-17-26(24)27/h8-11,14-17H,4-7,12-13,18-21H2,1-3H3 |
| InChIKey | MRSPALAAIZLTJL-UHFFFAOYSA-N |
| Molecular Weight | 375.600 g/mol |
| SMILES | C=1(C=2C(C(=C3C1C=CC=C3)C)=CC=CC2)CCN(CCCCC)CCCCC |