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(S)-Ethyl 2-[1-(dimethyamino)methyl]-3-methylbutylamino]-1-cyclohexenecarboxylate

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

(S)-Ethyl 2-[1-(dimethyamino)methyl]-3-methylbutylamino]-1-cyclohexenecarboxylate
SpectraBase Compound ID hmIEZa5g68
InChI InChI=1S/C17H32N2O2/c1-5-21-17(20)15-8-6-7-9-16(15)18-12-10-14(2)11-13-19(3)4/h14,18H,5-13H2,1-4H3
InChIKey OXFOGUYGBNRWJN-UHFFFAOYSA-N
Mol Weight 296.5 g/mol
Molecular Formula C17H32N2O2
Exact Mass 296.246378 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2yiWMVr6E4H
Name (S)-Ethyl 2-[1-(dimethyamino)methyl]-3-methylbutylamino]-1-cyclohexenecarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.246378276 u
Formula C17H32N2O2
InChI InChI=1S/C17H32N2O2/c1-5-21-17(20)15-8-6-7-9-16(15)18-12-10-14(2)11-13-19(3)4/h14,18H,5-13H2,1-4H3
InChIKey OXFOGUYGBNRWJN-UHFFFAOYSA-N
SMILES C1(C(=O)OCC)=C(NCCC(CCN(C)C)C)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838827