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N-(2-Isobutoxycarbonyl-1-cycloheptenyl)-L-valine diethylamide
SpectraBase Compound ID 6x76ZarpPom
InChI InChI=1S/C21H38N2O3/c1-7-23(8-2)20(24)19(16(5)6)22-18-13-11-9-10-12-17(18)21(25)26-14-15(3)4/h15-16,19,22H,7-14H2,1-6H3/t19-/m0/s1
InChIKey HRDQTRLNFVPLEJ-IBGZPJMESA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H38N2O3
Exact Mass 366.288243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AVWa4ruueb
Name N-(2-Isobutoxycarbonyl-1-cycloheptenyl)-L-valine diethylamide
Alternate Name(s) isobutyl 2-({(1S)-1-[(diethylamino)carbonyl]-2-methylpropyl}amino)-1-cycloheptene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38N2O3
InChI InChI=1S/C21H38N2O3/c1-7-23(8-2)20(24)19(16(5)6)22-18-13-11-9-10-12-17(18)21(25)26-14-15(3)4/h15-16,19,22H,7-14H2,1-6H3/t19-/m0/s1
InChIKey HRDQTRLNFVPLEJ-IBGZPJMESA-N
Molecular Weight 366.546 g/mol
SMILES N(C1=C(C(OCC(C)C)=O)CCCCC1)[C@](C(N(CC)CC)=O)(C(C)C)[H]
SPLASH splash10-014l-2970000000-b0daeab799177a035e45
Source of Spectrum QE-7-1022-3
Wiley ID 845474