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L-Norvaline, N-ethoxycarbonyl-, isobutyl ester

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L-Norvaline, N-ethoxycarbonyl-, isobutyl ester
SpectraBase Compound ID LIECT5KsABk
InChI InChI=1S/C12H23NO4/c1-5-7-10(13-12(15)16-6-2)11(14)17-8-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKey BSTWGVGTAXSPHD-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JQFQCNR68Iy
Name L-Norvaline, N-ethoxycarbonyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-5-7-10(13-12(15)16-6-2)11(14)17-8-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKey BSTWGVGTAXSPHD-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCOC(NC(C(OCC(C)C)=O)CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858783