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1-Aminocyclopentanecarboxylic acid, N-(2-methoxyethoxycarbonyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

1-Aminocyclopentanecarboxylic acid, N-(2-methoxyethoxycarbonyl)-, dodecyl ester
SpectraBase Compound ID 9Fklky2hexy
InChI InChI=1S/C22H41NO5/c1-3-4-5-6-7-8-9-10-11-14-17-27-20(24)22(15-12-13-16-22)23-21(25)28-19-18-26-2/h3-19H2,1-2H3,(H,23,25)
InChIKey WCBPXBIPUXZJHQ-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C22H41NO5
Exact Mass 399.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgEP6v8O97Z
Name 1-Aminocyclopentanecarboxylic acid, N-(2-methoxyethoxycarbonyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.298473419 u
Formula C22H41NO5
InChI InChI=1S/C22H41NO5/c1-3-4-5-6-7-8-9-10-11-14-17-27-20(24)22(15-12-13-16-22)23-21(25)28-19-18-26-2/h3-19H2,1-2H3,(H,23,25)
InChIKey WCBPXBIPUXZJHQ-UHFFFAOYSA-N
Molecular Weight 399.572 g/mol
SMILES COCCOC(NC1(C(OCCCCCCCCCCCC)=O)CCCC1)=O