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Allosedamine

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

Allosedamine
SpectraBase Compound ID CceiLMvDem
InChI InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14?/m0/s1
InChIKey GOWRYACIDZSIHI-LSLKUGRBSA-N
Mol Weight 219.33 g/mol
Molecular Formula C14H21NO
Exact Mass 219.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID MZCEaH39sp
Name Allosedamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.162314299 u
Formula C14H21NO
InChI InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14?/m0/s1
InChIKey GOWRYACIDZSIHI-LSLKUGRBSA-N
Molecular Weight 219.328 g/mol
SMILES [C@]1(N(CCCC1)C)(CC(C1=CC=CC=C1)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938151