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(5RS,6SR,7aSR)-5-((E)-But-2-enyl)-6-[1,3]dithian-2-yl-1,2,5,6,7,7a-hexahydroinden-4-one
SpectraBase Compound ID 7Egv8g2Upof
InChI InChI=1S/C17H24OS2/c1-2-3-7-14-15(17-19-9-5-10-20-17)11-12-6-4-8-13(12)16(14)18/h2-3,8,12,14-15,17H,4-7,9-11H2,1H3/b3-2+/t12-,14+,15-/m0/s1
InChIKey ZZGAVVAHISYWCC-DPANCYMXSA-N
Mol Weight 308.5 g/mol
Molecular Formula C17H24OS2
Exact Mass 308.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MVqVveKqcI
Name (5RS,6SR,7aSR)-5-((E)-But-2-enyl)-6-[1,3]dithian-2-yl-1,2,5,6,7,7a-hexahydroinden-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS2
InChI InChI=1S/C17H24OS2/c1-2-3-7-14-15(17-19-9-5-10-20-17)11-12-6-4-8-13(12)16(14)18/h2-3,8,12,14-15,17H,4-7,9-11H2,1H3/b3-2+/t12-,14+,15-/m0/s1
InChIKey ZZGAVVAHISYWCC-DPANCYMXSA-N
Molecular Weight 308.498 g/mol
SMILES C1(C=2[C@](CCC2)([H])C[C@@]([C@]1(C\C=C\C)[H])(C1SCCCS1)[H])=O
SPLASH splash10-000i-2920000000-ebec37ede9d645f3fea9
Source of Spectrum QE-4-64-19
Synonyms (5R,6S,7aS)-5-[(2E)-2-butenyl]-6-(1,3-dithian-2-yl)-1,2,5,6,7,7a-hexahydro-4H-inden-4-one
Wiley ID 843414