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2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, isobutyl ester

View entire compound with spectra: 1 NMR

2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, isobutyl ester
SpectraBase Compound ID Il66eXCHoYR
InChI InChI=1S/C18H33NO4/c1-6-9-11-15(8-3)13-23-18(21)19-16(10-7-2)17(20)22-12-14(4)5/h7,14-16H,2,6,8-13H2,1,3-5H3,(H,19,21)
InChIKey KBNVZJYEUURFJI-UHFFFAOYSA-N
Mol Weight 327.5 g/mol
Molecular Formula C18H33NO4
Exact Mass 327.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iyf34DzcGGs
Name 2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 327.240958543 u
Formula C18H33NO4
InChI InChI=1S/C18H33NO4/c1-6-9-11-15(8-3)13-23-18(21)19-16(10-7-2)17(20)22-12-14(4)5/h7,14-16H,2,6,8-13H2,1,3-5H3,(H,19,21)
InChIKey KBNVZJYEUURFJI-UHFFFAOYSA-N
Molecular Weight 327.465 g/mol
SMILES C(C(C(OCC(C)C)=O)NC(=O)OCC(CCCC)CC)C=C