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(2R*,3E,6S*)-1-Benzyl-3-ethylidene-6-hexyl-4-methyl-2-phenyl-2,6-dihydropyridine
SpectraBase Compound ID 5kxsSECca7O
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
Mol Weight 373.6 g/mol
Molecular Formula C27H35N
Exact Mass 373.27695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ex0x7kSDIG
Name (2R*,3E,6S*)-1-Benzyl-3-ethylidene-6-hexyl-4-methyl-2-phenyl-2,6-dihydropyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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@@](N1Cc1ccccc1)(CCCCCC)[H])C)=C\C)(c1ccccc1)[H]
SPLASH splash10-000i-1090000000-bad81ba15bebbdda0798
Source of Spectrum F-68-9347-7
Wiley ID 1717812