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4-Nonynoic acid, 7-hydroxy-9-[2-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-6-heptenyl]-1,3-dithian-2-yl]-, [2R-[2R*[R*(S*)]]]-
SpectraBase Compound ID BRhvZdj5pkI
InChI InChI=1S/C25H40O5S2/c1-2-3-11-22(30-24-13-7-8-18-29-24)15-17-25(31-19-9-20-32-25)16-14-21(26)10-5-4-6-12-23(27)28/h2,21-22,24,26H,1,3,6-20H2,(H,27,28)
InChIKey NLAUJGJBYQHWDW-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C25H40O5S2
Exact Mass 484.231717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKi08Ki1FUh
Name 4-NONYNOIC ACID, 7-HYDROXY-9-[2-[3-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]-6-HEPTENYL]-1,3-DITHIAN-2-YL]-, [2R-[2R*[R*(S*)]]]-
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Formula C25H40O5S2
InChI InChI=1S/C25H40O5S2/c1-2-3-11-22(30-24-13-7-8-18-29-24)15-17-25(31-19-9-20-32-25)16-14-21(26)10-5-4-6-12-23(27)28/h2,21-22,24,26H,1,3,6-20H2,(H,27,28)
InChIKey NLAUJGJBYQHWDW-UHFFFAOYSA-N
Molecular Weight 484.2307
SMILES OC(CCC#CCC(O)CCC1(CCC(CCC=C)OC2CCCCO2)SCCCS1)=O
SPLASH splash10-054x-9210000000-793e7fcc3b8d0187da89
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany