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1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, dodecyl ester

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1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, dodecyl ester
SpectraBase Compound ID A6rH9HktU6H
InChI InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-14-17-25-18(22)20(15-12-13-16-20)21-19(23)24-2/h3-17H2,1-2H3,(H,21,23)
InChIKey VHNDYPMZEVCMNW-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C20H37NO4
Exact Mass 355.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qOvufJxiKS
Name 1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.272258671 u
Formula C20H37NO4
InChI InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-14-17-25-18(22)20(15-12-13-16-20)21-19(23)24-2/h3-17H2,1-2H3,(H,21,23)
InChIKey VHNDYPMZEVCMNW-UHFFFAOYSA-N
Molecular Weight 355.519 g/mol
SMILES COC(NC1(C(OCCCCCCCCCCCC)=O)CCCC1)=O