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2,4-Di-O-acetyl-1,5-anhydro-3-deoxy-3-nitro-1-thiopentitol
SpectraBase Compound ID E1thuN6eQAh
InChI InChI=1S/C9H13NO6S/c1-5(11)15-7-3-17-4-8(16-6(2)12)9(7)10(13)14/h7-9H,3-4H2,1-2H3
InChIKey MMCWSWXGKHYGGE-UHFFFAOYSA-N
Mol Weight 263.26 g/mol
Molecular Formula C9H13NO6S
Exact Mass 263.046358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LjY9OjQImx
Name 2,4-Di-O-acetyl-1,5-anhydro-3-deoxy-3-nitro-1-thiopentitol
Alternate Name(s) (5-acetoxy-4-nitro-tetrahydrothiopyran-3-yl) acetate (5-acetyloxy-4-nitro-thian-3-yl) ethanoate (5-acetyloxy-4-nitrothian-3-yl) acetate Acetic acid (5-acetoxy-4-nitro-tetrahydrothiopyran-3-yl) ester Acetic acid (5-acetyloxy-4-nitro-3-thianyl) ester
CAS Registry Number 114454-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO6S
InChI InChI=1S/C9H13NO6S/c1-5(11)15-7-3-17-4-8(16-6(2)12)9(7)10(13)14/h7-9H,3-4H2,1-2H3
InChIKey MMCWSWXGKHYGGE-UHFFFAOYSA-N
Molecular Weight 263.264 g/mol
SMILES C1SCC(C(C1OC(=O)C)N(=O)=O)OC(=O)C
SPLASH splash10-0007-9200000000-666dab09b37e82d67e88
Wiley ID 1482598