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6,6'-Bis(4,5-dihydro-6H-3-n-octylcyclopenta[b]thiophenylidene)-2'-ylmethyldiethylphosphonate
SpectraBase Compound ID 70tRTJSclNz
InChI InChI=1S/C35H55O3PS2/c1-5-9-11-13-15-17-19-27-26-40-34-28(27)21-22-31(34)32-24-23-30-29(20-18-16-14-12-10-6-2)33(41-35(30)32)25-39(36,37-7-3)38-8-4/h26H,5-25H2,1-4H3/b32-31+
InChIKey TUAMBIAIIOMSGC-QNEJGDQOSA-N
Mol Weight 618.9 g/mol
Molecular Formula C35H55O3PS2
Exact Mass 618.333025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IO9ZRSfgKVP
Name 6,6'-Bis(4,5-dihydro-6H-3-n-octylcyclopenta[b]thiophenylidene)-2'-ylmethyldiethylphosphonate
Comments Less than 3 mono-isotopic peaks
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Formula C35H55O3PS2
InChI InChI=1S/C35H55O3PS2/c1-5-9-11-13-15-17-19-27-26-40-34-28(27)21-22-31(34)32-24-23-30-29(20-18-16-14-12-10-6-2)33(41-35(30)32)25-39(36,37-7-3)38-8-4/h26H,5-25H2,1-4H3/b32-31+
InChIKey TUAMBIAIIOMSGC-QNEJGDQOSA-N
Molecular Weight 618.916 g/mol
SMILES c12sc(CP(=O)(OCC)OCC)c(c2CC\C1=C\1c2c(c(CCCCCCCC)cs2)CC1)CCCCCCCC
SPLASH splash10-014i-0000109000-ea96e251e165421d2553
Source of Spectrum QE-0-1253-19
Wiley ID 1586723