5-Methyl-2-(4-nitro-phenyl)-[1,3]dioxane-5-carboxylic acid

SpectraBase Compound ID	9PMNuDs9LcE
InChI	InChI=1S/C12H13NO6/c1-12(11(14)15)6-18-10(19-7-12)8-2-4-9(5-3-8)13(16)17/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKey	RHBFUMRYUOSFNM-UHFFFAOYSA-N Google Search
Mol Weight	267.24 g/mol
Molecular Formula	C12H13NO6
Exact Mass	267.074287 g/mol

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SpectraBase Spectrum ID	2pKmol68EOC
Name	1,3-dioxane-5-carboxylic acid, 5-methyl-2-(4-nitrophenyl)-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	267.074287137 u
Formula	C12H13NO6
InChI	InChI=1S/C12H13NO6/c1-12(11(14)15)6-18-10(19-7-12)8-2-4-9(5-3-8)13(16)17/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKey	RHBFUMRYUOSFNM-UHFFFAOYSA-N
Molecular Weight	267.237 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_7859
Solvent	DMSO-d6
Source	Vendor ID: NMR/10231844; Lab Info: LP; Lab Number: LP-2100406