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Dimethyl 6-Tributylphosphinidene-3,4,7-trithiatricyclo[7.2.1.0(2,8)]undec-10-en-5-thione-10,11-dicarboxylate
SpectraBase Compound ID H4tUvX0GoJ2
InChI InChI=1S/C25H39O4PS4/c1-6-9-12-30(13-10-7-2,14-11-8-3)24-25(31)34-33-21-17-15-16(20(21)32-24)18(22(26)28-4)19(17)23(27)29-5/h16-17,20-21H,6-15H2,1-5H3/t16-,17+,20-,21+/m0/s1
InChIKey UEOHMHSCSWWQJE-KJNZLNQQSA-N
Mol Weight 562.8 g/mol
Molecular Formula C25H39O4PS4
Exact Mass 562.146881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3erGSy8zZI
Name Dimethyl 6-Tributylphosphinidene-3,4,7-trithiatricyclo[7.2.1.0(2,8)]undec-10-en-5-thione-10,11-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39O4PS4
InChI InChI=1S/C25H39O4PS4/c1-6-9-12-30(13-10-7-2,14-11-8-3)24-25(31)34-33-21-17-15-16(20(21)32-24)18(22(26)28-4)19(17)23(27)29-5/h16-17,20-21H,6-15H2,1-5H3/t16-,17+,20-,21+/m0/s1
InChIKey UEOHMHSCSWWQJE-KJNZLNQQSA-N
Molecular Weight 562.797 g/mol
SMILES C1(=C([C@]2(C[C@@]1([C@@]1(SC(C(=S)SS[C@]21[H])=P(CCCC)(CCCC)CCCC)[H])[H])[H])C(=O)OC)C(=O)OC
SPLASH splash10-0ff0-0910000000-2250d1e7cc3b44ae32ee
Source of Spectrum AT-40-1064-11
Wiley ID 854381