| SpectraBase Spectrum ID |
86FSCEO0Ou2 |
| Name |
(2R*,3E,6S*)-1-Benzyl-3-ethylidene-6-hexyl-4-methyl-2-phenyl-2,6-dihydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.276950131 u |
| Formula |
C27H35N |
| InChI |
InChI=1S/C27H35N/c1-4-6-7-14-19-25-20-22(3)26(5-2)27(24-17-12-9-13-18-24)28(25)21-23-15-10-8-11-16-23/h5,8-13,15-18,20,25,27H,4,6-7,14,19,21H2,1-3H3/b26-5+/t25-,27+/m0/s1 |
| InChIKey |
OPCHGGTXIIHVMS-XHWCDLEESA-N |
| Molecular Weight |
373.584 g/mol |
| SMILES |
[C@@]1(\C(C(=C[C@@](N1CC=1C=CC=CC1)(CCCCCC)[H])C)=C\C)(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909253 |
