John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16ZX8qjtdb SpectraBase Spectrum ID=IThAGxkKmHe

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2-isobutyl-2-methyl-5-nitro-1,3-benzodioxole
SpectraBase Compound ID 16ZX8qjtdb
InChI InChI=1S/C12H15NO4/c1-8(2)7-12(3)16-10-5-4-9(13(14)15)6-11(10)17-12/h4-6,8H,7H2,1-3H3
InChIKey GMCDKWIZRIHHJQ-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IThAGxkKmHe
Name 2-ISOBUTYL-2-METHYL-5-NITRO-1,3-BENZODIOXOLE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-8(2)7-12(3)16-10-5-4-9(13(14)15)6-11(10)17-12/h4-6,8H,7H2,1-3H3
InChIKey GMCDKWIZRIHHJQ-UHFFFAOYSA-N
Molecular Weight 237.26
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID Dgw7XJfZhrm
Synonyms 1,3-BENZODIOXOLE, 2-ISOBUTYL-2-METHYL-5-NITRO-,