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2-t-Butyl-6-[2-hydroxy-2-(4-nitrophenyl)ethyl]-[1,3]dioxin-4-one
SpectraBase Compound ID FpAiMGDj3Zc
InChI InChI=1S/C16H19NO6/c1-16(2,3)15-22-12(9-14(19)23-15)8-13(18)10-4-6-11(7-5-10)17(20)21/h4-7,9,13,15,18H,8H2,1-3H3
InChIKey BTZIEPSQIUJIKC-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLDZUL9gNqn
Name 2-tert-BUTYL-6-[2-HYDROXY-2-(4-NITRO-PHENYL)-ETHYL][1,3]DIOXIN-4-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-16(2,3)15-22-12(9-14(19)23-15)8-13(18)10-4-6-11(7-5-10)17(20)21/h4-7,9,13,15,18H,8H2,1-3H3
InChIKey BTZIEPSQIUJIKC-UHFFFAOYSA-N
Molecular Weight 321.1207
SMILES OC(CC=1OC(C(C)(C)C)OC(=O)C1)c1ccc(N(=O)=O)cc1
SPLASH splash10-0kbf-9300000000-4a76a3f2cc2aacd85d81
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany