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2-Methyl-2-nitro-1,3-propanediol
SpectraBase Compound ID JuWQdkORF4V
InChI InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3
InChIKey LOTYADDQWWVBDJ-UHFFFAOYSA-N
Mol Weight 135.12 g/mol
Molecular Formula C4H9NO4
Exact Mass 135.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z6pJ2mTCw7
Name 2-Methyl-2-nitro-propane-1,3-diol
CAS Registry Number 77-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H9NO4
InChI InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3
InChIKey LOTYADDQWWVBDJ-UHFFFAOYSA-N
Molecular Weight 135.119 g/mol
SMILES OCC(CO)(N(=O)=O)C
SPLASH splash10-000x-9000000000-c28c718cb70f0951891f
Synonyms 1,1-Dimethylol-1-nitroethane 1,3-Propanediol, 2-methyl-2-nitro- 2-Methyl-2-nitro-1,3-propanediol 2-Methyl-2-nitropropanediol 2-Nitro-2-methyl-1,3-propanediol Nitroisobutylglycol NMPD
Wiley ID 1484671