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(+)-cermizine D tfa salt

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(+)-cermizine D tfa salt
SpectraBase Compound ID KX1HhTeY4xW
InChI InChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3/t13-,14-,15-,16?/m0/s1
InChIKey HXFURELRXGRSMC-HEHBBPHXSA-N
Mol Weight 250.43 g/mol
Molecular Formula C16H30N2
Exact Mass 250.240899 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ip9kwj40Wsw
Name (+)-cermizine D tfa salt
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.240898974 u
Formula C16H30N2
InChI InChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3/t13-,14-,15-,16?/m0/s1
InChIKey HXFURELRXGRSMC-HEHBBPHXSA-N
Molecular Weight 250.430 g/mol
SMILES C1(N2[C@](C[C@@](C1)(C)[H])(CCCC2)[H])C[C@]1(NCCCC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96698