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Methyl hydrogen 2-[(benzyloxy)methyl]-2-methylmalonate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl hydrogen 2-[(benzyloxy)methyl]-2-methylmalonate
SpectraBase Compound ID 878iTaHVcwi
InChI InChI=1S/C13H16O5/c1-13(11(14)15,12(16)17-2)9-18-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKey STTGOVGBHBPMKK-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 86vEXZE8a9F
Name Methyl hydrogen 2-[(benzyloxy)methyl]-2-methylmalonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.099773610 u
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-13(11(14)15,12(16)17-2)9-18-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKey STTGOVGBHBPMKK-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C(C(=O)O)(C(=O)OC)(COCC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965876