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2H-Thieno[2,3-e]-1,3-oxazine, 3,4,4a,7a-tetrahydro-3-hydroxy-4-phenyl-, 5,5-dioxide, (4.alpha.,4a.alpha.,7a.alpha.)-
SpectraBase Compound ID 7HxtLewEmeS
InChI InChI=1S/C12H13NO4S/c14-13-8-17-10-6-7-18(15,16)12(10)11(13)9-4-2-1-3-5-9/h1-7,10-12,14H,8H2/t10-,11-,12+/m1/s1
InChIKey CVOYSRSNJBDDGC-UTUOFQBUSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4MJcW5XqlM
Name 2H-Thieno[2,3-e]-1,3-oxazine, 3,4,4a,7a-tetrahydro-3-hydroxy-4-phenyl-, 5,5-dioxide, (4.alpha.,4a.alpha.,7a.alpha.)-
CAS Registry Number 111916-58-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c14-13-8-17-10-6-7-18(15,16)12(10)11(13)9-4-2-1-3-5-9/h1-7,10-12,14H,8H2/t10-,11-,12+/m1/s1
InChIKey CVOYSRSNJBDDGC-UTUOFQBUSA-N
Molecular Weight 267.299 g/mol
SMILES ON1[C@@]([C@]2(S(C=C[C@]2(OC1)[H])(=O)=O)[H])(c1ccccc1)[H]
SPLASH splash10-0uxr-0090000000-80b92dd3f78358cfab69
Source of Spectrum F-42-4668-4
Synonyms (4R,4aR,7aR)-4-phenyl-4a,7a-dihydro-2H-thieno[2,3-e][1,3]oxazin-3(4H)-ol 5,5-dioxide 9.beta.-phenyl-2-oxa-6-thia-1-azatricyclo[3.3.1.0(3,7)]nonan-4.alpha.-ol-6,6-dioxide
Wiley ID 1270997