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dl-o-Methylserine, N-ethoxycarbonyl-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

dl-o-Methylserine, N-ethoxycarbonyl-, ethyl ester
SpectraBase Compound ID nDNBMcjSzD
InChI InChI=1S/C9H17NO5/c1-4-14-8(11)7(6-13-3)10-9(12)15-5-2/h7H,4-6H2,1-3H3,(H,10,12)
InChIKey RIKRAKNBGUMRHS-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C9H17NO5
Exact Mass 219.110673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6hH1asqAgY9
Name dl-o-Methylserine, N-ethoxycarbonyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.110672646 u
Formula C9H17NO5
InChI InChI=1S/C9H17NO5/c1-4-14-8(11)7(6-13-3)10-9(12)15-5-2/h7H,4-6H2,1-3H3,(H,10,12)
InChIKey RIKRAKNBGUMRHS-UHFFFAOYSA-N
Molecular Weight 219.237 g/mol
SMILES COCC(C(OCC)=O)NC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945454