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dl-Norleucyl-dl-norleucine, N-neopentyloxycarbonyl-, neopentyl ester
SpectraBase Compound ID BL0x8wAi92f
InChI InChI=1S/C23H44N2O5/c1-9-11-13-17(25-21(28)30-16-23(6,7)8)19(26)24-18(14-12-10-2)20(27)29-15-22(3,4)5/h17-18H,9-16H2,1-8H3,(H,24,26)(H,25,28)
InChIKey KEHHUVQOPXYAKK-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C23H44N2O5
Exact Mass 428.325023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IIrIWCdjWjG
Name dl-Norleucyl-dl-norleucine, N-neopentyloxycarbonyl-, neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.325022520 u
Formula C23H44N2O5
InChI InChI=1S/C23H44N2O5/c1-9-11-13-17(25-21(28)30-16-23(6,7)8)19(26)24-18(14-12-10-2)20(27)29-15-22(3,4)5/h17-18H,9-16H2,1-8H3,(H,24,26)(H,25,28)
InChIKey KEHHUVQOPXYAKK-UHFFFAOYSA-N
Molecular Weight 428.614 g/mol
SMILES C(NC(C(NC(OCC(C)(C)C)=O)CCCC)=O)(C(OCC(C)(C)C)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848731