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Glycine, N-neopentyloxycarbonyl-, neopentyl ester

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Glycine, N-neopentyloxycarbonyl-, neopentyl ester
SpectraBase Compound ID IV5TrSdwXvq
InChI InChI=1S/C13H25NO4/c1-12(2,3)8-17-10(15)7-14-11(16)18-9-13(4,5)6/h7-9H2,1-6H3,(H,14,16)
InChIKey YSEKGXKNQRWPCX-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C13H25NO4
Exact Mass 259.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HcEnSQSi6kX
Name Glycine, N-neopentyloxycarbonyl-, neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.178358285 u
Formula C13H25NO4
InChI InChI=1S/C13H25NO4/c1-12(2,3)8-17-10(15)7-14-11(16)18-9-13(4,5)6/h7-9H2,1-6H3,(H,14,16)
InChIKey YSEKGXKNQRWPCX-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES C(COC(CNC(OCC(C)(C)C)=O)=O)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937489