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3-(3,3-dimethoxypropyl)-7-[1-[4-[(2E)-hexa-2,5-dienyl]thiazol-2-yl]-1-methyl-ethyl]-6,7-dihydro-3H-oxathiepin 2,2-dioxide

View entire compound with spectra: 2 MS (GC)

3-(3,3-dimethoxypropyl)-7-[1-[4-[(2E)-hexa-2,5-dienyl]thiazol-2-yl]-1-methyl-ethyl]-6,7-dihydro-3H-oxathiepin 2,2-dioxide
SpectraBase Compound ID HP2Q4qI8c0S
InChI InChI=1S/C22H33NO5S2/c1-6-7-8-9-11-17-16-29-21(23-17)22(2,3)19-13-10-12-18(30(24,25)28-19)14-15-20(26-4)27-5/h6,8-10,12,16,18-20H,1,7,11,13-15H2,2-5H3/b9-8+
InChIKey WUSGKNCTLVAHNV-CMDGGOBGSA-N
Mol Weight 455.6 g/mol
Molecular Formula C22H33NO5S2
Exact Mass 455.180016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkKSWXlvqko
Name 3-(3,3-dimethoxypropyl)-7-[1-[4-[(2E)-hexa-2,5-dienyl]thiazol-2-yl]-1-methyl-ethyl]-6,7-dihydro-3H-oxathiepin 2,2-dioxide
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Formula C22H33NO5S2
InChI InChI=1S/C22H33NO5S2/c1-6-7-8-9-11-17-16-29-21(23-17)22(2,3)19-13-10-12-18(30(24,25)28-19)14-15-20(26-4)27-5/h6,8-10,12,16,18-20H,1,7,11,13-15H2,2-5H3/b9-8+
InChIKey WUSGKNCTLVAHNV-CMDGGOBGSA-N
Molecular Weight 455.628 g/mol
SMILES C1(OS(C(C=CC1)CCC(OC)OC)(=O)=O)C(c1nc(C\C=C\CC=C)cs1)(C)C
SPLASH splash10-014i-5901000000-ae1763154a13d90839d4
Source of Spectrum F-62-9033-32
Synonyms 3-(3,3-dimethoxypropyl)-7-[1-[4-[(2E)-hexa-2,5-dienyl]thiazol-2-yl]-1-methyl-ethyl]-6,7-dihydro-3H-oxathiepine 2,2-dioxide 3-(3,3-dimethoxypropyl)-7-[2-[4-[(2E)-hexa-2,5-dienyl]-1,3-thiazol-2-yl]propan-2-yl]-6,7-dihydro-3H-1,2-oxathiepine 2,2-dioxide 3-(3,3-dimethoxypropyl)-7-[2-[4-[(2E)-hexa-2,5-dienyl]-1,3-thiazol-2-yl]propan-2-yl]-6,7-dihydro-3H-oxathiepine 2,2-dioxide 3-(3,3-dimethoxypropyl)-7-[2-[4-[(2E)-hexa-2,5-dienyl]-2-thiazolyl]propan-2-yl]-6,7-dihydro-3H-oxathiepin 2,2-dioxide
Wiley ID 1640752