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1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[3-methylene-5-(phenylsulfinyl)bicyclo[2.2.1]hept-2-ylidene]-, (1.alpha.,4.alpha.,5.alpha.)-

View entire compound with spectra: 1 MS (GC)

1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[3-methylene-5-(phenylsulfinyl)bicyclo[2.2.1]hept-2-ylidene]-, (1.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID IpRPYFYF54j
InChI InChI=1S/C20H20O5S/c1-11-14-9-12(10-15(14)26(23)13-7-5-4-6-8-13)16(11)17-18(21)24-20(2,3)25-19(17)22/h4-8,12,14-15H,1,9-10H2,2-3H3/t12-,14-,15+,26?/m0/s1
InChIKey IVQZUSBTTVZJSK-VYZLVQTFSA-N
Mol Weight 372.44 g/mol
Molecular Formula C20H20O5S
Exact Mass 372.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzRkjaeHq67
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[3-methylene-5-(phenylsulfinyl)bicyclo[2.2.1]hept-2-ylidene]-, (1.alpha.,4.alpha.,5.alpha.)-
CAS Registry Number 104413-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O5S
InChI InChI=1S/C20H20O5S/c1-11-14-9-12(10-15(14)26(23)13-7-5-4-6-8-13)16(11)17-18(21)24-20(2,3)25-19(17)22/h4-8,12,14-15H,1,9-10H2,2-3H3/t12-,14-,15+,26?/m0/s1
InChIKey IVQZUSBTTVZJSK-VYZLVQTFSA-N
Molecular Weight 372.435 g/mol
SMILES C1(=C2C([C@]3([H])C[C@]2(C[C@]3(S(=O)c2ccccc2)[H])[H])=C)C(OC(OC1=O)(C)C)=O
SPLASH splash10-000i-1900000000-57db1e5236600d1df0d3
Source of Spectrum B-39-191-3
Synonyms 2,2-Dimethyl-5-(3'methylene-exo-5'-phenylsulfinylbicyclo[2.2.1]heptan-2'ylidene)-1,3-dioxan-4,6-dione 2,2-Dimethyl-5-[(1S,4S,5R)-3-methylene-5-(phenylsulfinyl)bicyclo[2.2.1]hept-2-ylidene]-1,3-dioxane-4,6-dione
Wiley ID 1355380