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(+-)-O(1)-(2-Nitrobenzyl)glycerol

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

(+-)-O(1)-(2-Nitrobenzyl)glycerol
SpectraBase Compound ID 997j75yxMwy
InChI InChI=1S/C10H13NO5/c12-5-9(13)7-16-6-8-3-1-2-4-10(8)11(14)15/h1-4,9,12-13H,5-7H2
InChIKey XWGHAXNNOQEGOI-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C10H13NO5
Exact Mass 227.079373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 355On2NJrcD
Name (+-)-o(1)-(2-nitrobenzyl)glycerol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.079372518 u
Formula C10H13NO5
InChI InChI=1S/C10H13NO5/c12-5-9(13)7-16-6-8-3-1-2-4-10(8)11(14)15/h1-4,9,12-13H,5-7H2
InChIKey XWGHAXNNOQEGOI-UHFFFAOYSA-N
Molecular Weight 227.216 g/mol
SMILES C1(N(=O)=O)=C(COCC(O)CO)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951074