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1,3-Dioxolan-4-one, 5-[1-(bromomethyl)-2-nitroethyl]-2-(1,1-dimethylethyl)-5-methyl-, [2R-[2.alpha.,5.beta.(R*)]]-
SpectraBase Compound ID KofHjMF9nm1
InChI InChI=1S/C11H18BrNO5/c1-10(2,3)9-17-8(14)11(4,18-9)7(5-12)6-13(15)16/h7,9H,5-6H2,1-4H3
InChIKey RFDGBKVJJCZEPX-UHFFFAOYSA-N
Mol Weight 324.17 g/mol
Molecular Formula C11H18BrNO5
Exact Mass 323.036836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jraJoeP5Ya
Name 1,3-Dioxolan-4-one, 5-[1-(bromomethyl)-2-nitroethyl]-2-(1,1-dimethylethyl)-5-methyl-, [2R-[2.alpha.,5.beta.(R*)]]-
CAS Registry Number 104194-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18BrNO5
InChI InChI=1S/C11H18BrNO5/c1-10(2,3)9-17-8(14)11(4,18-9)7(5-12)6-13(15)16/h7,9H,5-6H2,1-4H3
InChIKey RFDGBKVJJCZEPX-UHFFFAOYSA-N
Molecular Weight 324.171 g/mol
SMILES CC(C1OC(C(O1)=O)(C)C(CBr)CN(=O)=O)(C)C
SPLASH splash10-07bf-9410000000-610de552e0ed2e50c4e5
Source of Spectrum H-68-1600-8
Synonyms 5-[2-Bromo-1-(nitromethyl)ethyl]-2-tert-butyl-5-methyl-1,3-dioxolan-4-one 5-(1-bromanyl-3-nitro-propan-2-yl)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one 5-(1-bromo-3-nitropropan-2-yl)-2-tert-butyl-5-methyl-1,3-dioxolan-4-one 5-[1-(bromomethyl)-2-nitro-ethyl]-2-tert-butyl-5-methyl-1,3-dioxolan-4-one
Wiley ID 1322267