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4,8,12,16,20-Pentamethyl-18-thioxo-1,5,9,13,17-pentaoxacycloicosane-2.6.10.14-tetrone
SpectraBase Compound ID 8zc4wep1VvL
InChI InChI=1S/C20H30O9S/c1-11-6-16(21)26-13(3)8-18(23)28-15(5)10-20(30)29-14(4)9-19(24)27-12(2)7-17(22)25-11/h11-15H,6-10H2,1-5H3/t11-,12-,13-,14-,15-/m1/s1
InChIKey VCYBDQPIJHIACS-KJWHEZOQSA-N
Mol Weight 446.51 g/mol
Molecular Formula C20H30O9S
Exact Mass 446.161054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xg5oD4pcHM
Name 4,8,12,16,20-Pentamethyl-18-thioxo-1,5,9,13,17-pentaoxacycloicosane-2.6.10.14-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O9S
InChI InChI=1S/C20H30O9S/c1-11-6-16(21)26-13(3)8-18(23)28-15(5)10-20(30)29-14(4)9-19(24)27-12(2)7-17(22)25-11/h11-15H,6-10H2,1-5H3/t11-,12-,13-,14-,15-/m1/s1
InChIKey VCYBDQPIJHIACS-KJWHEZOQSA-N
Molecular Weight 446.511 g/mol
SMILES C1(O[C@@](CC(O[C@@](CC(O[C@@](CC(O[C@@](CC(O[C@@](C1)(C)[H])=O)(C)[H])=O)(C)[H])=O)(C)[H])=O)(C)[H])=S
SPLASH splash10-066r-9500000000-9dce9ae57b76556a86bb
Source of Spectrum H-79-336-10
Synonyms (4R,8R,12R,16R,20R)-Pentamethyl-18-thioxo-1,5,9,13,17-pentaoxacycloicosane-2.6.10.14-tetrone 4,8,12,16,20-pentamethyl-18-thioxo-1,5,9,13,17-pentaoxacycloicosane-2,6,10,14-tetrone
Wiley ID 1386494