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1-Benzyl-9-dodecyl-dodecahydro-2H-1,8a-diazaphenanthrene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Benzyl-9-dodecyl-dodecahydro-2H-1,8a-diazaphenanthrene
SpectraBase Compound ID 6Fh5ZAVHIDg
InChI InChI=1S/C31H52N2/c1-2-3-4-5-6-7-8-9-10-14-20-28-25-31-29(30-22-15-16-24-33(28)30)21-17-23-32(31)26-27-18-12-11-13-19-27/h11-13,18-19,28-31H,2-10,14-17,20-26H2,1H3
InChIKey WNZPAVFDRAGHQN-UHFFFAOYSA-N
Mol Weight 452.8 g/mol
Molecular Formula C31H52N2
Exact Mass 452.41305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdicQ4vODIy
Name 1-Benzyl-9-dodecyl-dodecahydro-2H-1,8A-diazaphenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.413049682 u
Formula C31H52N2
InChI InChI=1S/C31H52N2/c1-2-3-4-5-6-7-8-9-10-14-20-28-25-31-29(30-22-15-16-24-33(28)30)21-17-23-32(31)26-27-18-12-11-13-19-27/h11-13,18-19,28-31H,2-10,14-17,20-26H2,1H3
InChIKey WNZPAVFDRAGHQN-UHFFFAOYSA-N
Molecular Weight 452.771 g/mol
SMILES C12N(C(CC3N(CCCC23)CC=2C=CC=CC2)CCCCCCCCCCCC)CCCC1