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N-(2-Isobutoxycarbonyl-1-cyclohexenyl)-L-valine diethylamide
SpectraBase Compound ID 4227ybfL3KQ
InChI InChI=1S/C20H36N2O3/c1-7-22(8-2)19(23)18(15(5)6)21-17-12-10-9-11-16(17)20(24)25-13-14(3)4/h14-15,18,21H,7-13H2,1-6H3/t18-/m0/s1
InChIKey JLJSNDORNQAGTM-SFHVURJKSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H36N2O3
Exact Mass 352.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12Kr1P2rbMm
Name N-(2-Isobutoxycarbonyl-1-cyclohexenyl)-L-valine diethylamide
Alternate Name(s) isobutyl 2-({(1S)-1-[(diethylamino)carbonyl]-2-methylpropyl}amino)-1-cyclohexene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36N2O3
InChI InChI=1S/C20H36N2O3/c1-7-22(8-2)19(23)18(15(5)6)21-17-12-10-9-11-16(17)20(24)25-13-14(3)4/h14-15,18,21H,7-13H2,1-6H3/t18-/m0/s1
InChIKey JLJSNDORNQAGTM-SFHVURJKSA-N
Molecular Weight 352.519 g/mol
SMILES N(C1=C(C(OCC(C)C)=O)CCCC1)[C@](C(N(CC)CC)=O)(C(C)C)[H]
SPLASH splash10-0fb9-1970000000-a4c54abe2db11def3a99
Source of Spectrum QE-7-1022-3
Wiley ID 845478