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(3S,4S,5S)-5-Hydroxymethyl-3-methyl-4-nitromethyldihydrofuran-2-one
SpectraBase Compound ID IyhilZE7Yhd
InChI InChI=1S/C7H11NO5/c1-4-5(2-8(11)12)6(3-9)13-7(4)10/h4-6,9H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKey DWXVELWJYQZFPL-KVQBGUIXSA-N
Mol Weight 189.17 g/mol
Molecular Formula C7H11NO5
Exact Mass 189.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aJbXBQUvp0
Name (3S,4S,5S)-5-Hydroxymethyl-3-methyl-4-nitromethyldihydrofuran-2-one
Alternate Name(s) (3S,4S,5S)-5-(hydroxymethyl)-3-methyl-4-(nitromethyl)oxolan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO5
InChI InChI=1S/C7H11NO5/c1-4-5(2-8(11)12)6(3-9)13-7(4)10/h4-6,9H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKey DWXVELWJYQZFPL-KVQBGUIXSA-N
Molecular Weight 189.167 g/mol
SMILES OC[C@]1(OC([C@]([C@]1(CN(=O)=O)[H])(C)[H])=O)[H]
SPLASH splash10-0bt9-9400000000-a47890e0c9d4922bae09
Source of Spectrum KD-13-1030-11
Wiley ID 1635298