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2,2-Dimethyl-1-[4-(1-methyl-1-nitro-ethyl)-2-furyl]propan-1-one
SpectraBase Compound ID 5Ijs2co2hq9
InChI InChI=1S/C12H17NO4/c1-11(2,3)10(14)9-6-8(7-17-9)12(4,5)13(15)16/h6-7H,1-5H3
InChIKey CYAICJTWMOFEAY-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x3jiG3ehbX
Name 2,2-Dimethyl-1-[4-(1-methyl-1-nitro-ethyl)-2-furyl]propan-1-one
Alternate Name(s) 2,2-Dimethyl-1-[4-(2-nitropropan-2-yl)-2-furanyl]-1-propanone 2,2-Dimethyl-1-[4-(2-nitropropan-2-yl)furan-2-yl]propan-1-one
CAS Registry Number 101384-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-11(2,3)10(14)9-6-8(7-17-9)12(4,5)13(15)16/h6-7H,1-5H3
InChIKey CYAICJTWMOFEAY-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES c1(cc(C(C(C)(C)C)=O)oc1)C(N(=O)=O)(C)C
SPLASH splash10-052f-9800000000-f90cc1ab8b1251b7cfea
Source of Spectrum J-52-2799-19
Wiley ID 1241835