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4-Tert-butoxy-1,2-pyrrolidinedicarboxylic acid, 1-benzyl ester, compound with dicyclohexylamine

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4-Tert-butoxy-1,2-pyrrolidinedicarboxylic acid, 1-benzyl ester, compound with dicyclohexylamine
SpectraBase Compound ID 4HdgopCmWzc
InChI InChI=1S/C17H23NO5.C12H23N/c1-17(2,3)23-13-9-14(15(19)20)18(10-13)16(21)22-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20);11-13H,1-10H2
InChIKey XGEBASGHXOJNSC-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C29H46N2O5
Exact Mass 502.340673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ignrs4fhIgQ
Name 4-Tert-butoxy-1,2-pyrrolidinedicarboxylic acid, 1-benzyl ester, compound with dicyclohexylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.340672584 u
Formula C29H46N2O5
InChI InChI=1S/C17H23NO5.C12H23N/c1-17(2,3)23-13-9-14(15(19)20)18(10-13)16(21)22-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20);11-13H,1-10H2
InChIKey XGEBASGHXOJNSC-UHFFFAOYSA-N
SMILES OC(C1N(CC(C1)OC(C)(C)C)C(OCC=1C=CC=CC1)=O)=O.N(C1CCCCC1)C1CCCCC1