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(1R,2S,4R,5S)-endo-2,4-Dimethyl-1-nitro-8-oxabicyclo[3.2.1]oct-6-en-3-one

View entire compound with spectra: 1 MS (GC)

(1R,2S,4R,5S)-endo-2,4-Dimethyl-1-nitro-8-oxabicyclo[3.2.1]oct-6-en-3-one
SpectraBase Compound ID KUyQ1rKv0hr
InChI InChI=1S/C9H11NO4/c1-5-7-3-4-9(14-7,10(12)13)6(2)8(5)11/h3-7H,1-2H3/t5-,6-,7+,9-/m1/s1
InChIKey KBZWERXWKSTHBJ-JAGXHNFQSA-N
Mol Weight 197.19 g/mol
Molecular Formula C9H11NO4
Exact Mass 197.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zv6nBSbzV
Name (1R,2S,4R,5S)-endo-2,4-Dimethyl-1-nitro-8-oxabicyclo[3.2.1]oct-6-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO4
InChI InChI=1S/C9H11NO4/c1-5-7-3-4-9(14-7,10(12)13)6(2)8(5)11/h3-7H,1-2H3/t5-,6-,7+,9-/m1/s1
InChIKey KBZWERXWKSTHBJ-JAGXHNFQSA-N
Molecular Weight 197.190 g/mol
SMILES [C@@]12([C@@](C(=O)[C@@]([C@@](O2)(C=C1)[H])(C)[H])(C)[H])N(=O)=O
SPLASH splash10-001j-9000000000-fb59151a58e91c565b9a
Source of Spectrum F-53-11681-34
Synonyms (1R,2S,4R,5S)-2,4-dimethyl-1-nitro-8-oxabicyclo[3.2.1]oct-6-en-3-one cis-endo-2,4-Dimethyl-1-nitro-8-oxabicyclo[3.2.1]oct-6-en-3-one
Wiley ID 803425