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3-Benzyl-5,5'-dimethyltetrahydro-1,4,3-oxathiazine 4,4-dioxide
SpectraBase Compound ID 2xLi89Xb5TO
InChI InChI=1S/C12H17NO3S/c1-12(2)9-16-10-13(17(12,14)15)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey TWUPDDPZCURCKE-UHFFFAOYSA-N
Mol Weight 255.33 g/mol
Molecular Formula C12H17NO3S
Exact Mass 255.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0puYkOH2Hm
Name 3-Benzyl-5,5'-dimethyltetrahydro-1,4,3-oxathiazine 4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3S
InChI InChI=1S/C12H17NO3S/c1-12(2)9-16-10-13(17(12,14)15)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey TWUPDDPZCURCKE-UHFFFAOYSA-N
Molecular Weight 255.332 g/mol
SMILES C(N1S(C(COC1)(C)C)(=O)=O)c1ccccc1
SPLASH splash10-0006-9300000000-5ba8a200ac63efd6c255
Source of Spectrum H1-36-736-5
Synonyms 3-Benzyl-5,5-dimethyltetrahydro-1,4,3-oxathiazine 4,4-dioxide
Wiley ID 755241