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12-(N(ALPHA)-TERT.-BUTOXYCARBONYL-L-ALANINOYLAMINO)-DODECANOIC-ACID-METHYLESTER
SpectraBase Compound ID 615INyqdAAH
InChI InChI=1S/C21H40N2O5/c1-17(23-20(26)28-21(2,3)4)19(25)22-16-14-12-10-8-6-7-9-11-13-15-18(24)27-5/h17H,6-16H2,1-5H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKey JOYHYVUTUUNIJJ-KRWDZBQOSA-N
Mol Weight 400.6 g/mol
Molecular Formula C21H40N2O5
Exact Mass 400.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lhFQIa9bl4
Name 12-(N(ALPHA)-TERT.-BUTOXYCARBONYL-L-ALANINOYLAMINO)-DODECANOIC-ACID-METHYLESTER
Compound Number 15M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-17(23-20(26)28-21(2,3)4)19(25)22-16-14-12-10-8-6-7-9-11-13-15-18(24)27-5/h17H,6-16H2,1-5H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKey JOYHYVUTUUNIJJ-KRWDZBQOSA-N
Literature Reference Author C.M.JAKOBSEN,S.R.DENMEADE,J.T.ISAACS,A.GADY,C.E.OLSEN,S.B.CH RISTENSEN
Literature Reference Citation J.MED.CHEM.,44,4696(2001)
Literature Reference DOI 10.1021/jm010985a
Molecular Weight 400.559 g/mol
Sample ID 45262
Solvent CD3OD