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Tert-butyle 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate

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

Tert-butyle 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
SpectraBase Compound ID KyHB4wyOAtJ
InChI InChI=1S/C13H17NO6/c1-13(2,3)20-12(16)8-19-11-5-4-10(14(17)18)6-9(11)7-15/h4-6,15H,7-8H2,1-3H3
InChIKey SEGQIOLKUZYWPB-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C13H17NO6
Exact Mass 283.105587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J96Q5o9JDVu
Name Tert-butyle 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.105587265 u
Formula C13H17NO6
InChI InChI=1S/C13H17NO6/c1-13(2,3)20-12(16)8-19-11-5-4-10(14(17)18)6-9(11)7-15/h4-6,15H,7-8H2,1-3H3
InChIKey SEGQIOLKUZYWPB-UHFFFAOYSA-N
SMILES C=1(C=C(CO)C(=CC1)OCC(=O)OC(C)(C)C)[N+](=O)[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946167