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9-Dodecyl-dodecahydro-2H-4a,8a-diazaphenanthrene

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

9-Dodecyl-dodecahydro-2H-4a,8a-diazaphenanthrene
SpectraBase Compound ID BJklnobGy0L
InChI InChI=1S/C24H46N2/c1-2-3-4-5-6-7-8-9-10-11-16-22-21-23-17-12-14-19-25(23)24-18-13-15-20-26(22)24/h22-24H,2-21H2,1H3
InChIKey HPRBSMWHWFFESS-UHFFFAOYSA-N
Mol Weight 362.6 g/mol
Molecular Formula C24H46N2
Exact Mass 362.366099 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G40KfTf5VoE
Name 9-Dodecyl-dodecahydro-2H-4A,8A-diazaphenanthrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.366099489 u
Formula C24H46N2
InChI InChI=1S/C24H46N2/c1-2-3-4-5-6-7-8-9-10-11-16-22-21-23-17-12-14-19-25(23)24-18-13-15-20-26(22)24/h22-24H,2-21H2,1H3
InChIKey HPRBSMWHWFFESS-UHFFFAOYSA-N
Molecular Weight 362.646 g/mol
SMILES C12N3C(CC(N2CCCC1)CCCCCCCCCCCC)CCCC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93403