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[2-tert-Butyl-4-(1-methyl-2-nitroethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

View entire compound with spectra: 3 MS (GC)

[2-tert-Butyl-4-(1-methyl-2-nitroethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SpectraBase Compound ID x7IDo4yb04
InChI InChI=1S/C12H19NO7/c1-7(6-13(17)18)12(5-8(14)15)9(16)19-10(20-12)11(2,3)4/h7,10H,5-6H2,1-4H3,(H,14,15)
InChIKey BBVWLTUCBOQYAR-UHFFFAOYSA-N
Mol Weight 289.28 g/mol
Molecular Formula C12H19NO7
Exact Mass 289.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZJAkRyC0ZJ
Name [2-tert-Butyl-4-(1-methyl-2-nitroethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
Alternate Name(s) 1,3-Dioxolane-4-acetic acid, 2-t-butyl-5-oxo-4-(1-methyl-2-nitroethyl)- 2-[2-tert-butyl-4-(1-methyl-2-nitro-ethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid 2-[2-tert-butyl-4-(1-nitropropan-2-yl)-5-oxidanylidene-1,3-dioxolan-4-yl]ethanoic acid 2-[2-tert-butyl-4-(1-nitropropan-2-yl)-5-oxo-1,3-dioxolan-4-yl]acetic acid 2-[2-tert-butyl-5-keto-4-(1-methyl-2-nitro-ethyl)-1,3-dioxolan-4-yl]acetic acid
CAS Registry Number 104194-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO7
InChI InChI=1S/C12H19NO7/c1-7(6-13(17)18)12(5-8(14)15)9(16)19-10(20-12)11(2,3)4/h7,10H,5-6H2,1-4H3,(H,14,15)
InChIKey BBVWLTUCBOQYAR-UHFFFAOYSA-N
Molecular Weight 289.284 g/mol
SMILES OC(CC1(OC(OC1=O)C(C)(C)C)C(C)CN(=O)=O)=O
SPLASH splash10-0ar3-9300000000-976d32b9c732a80ba244
Wiley ID 1480671