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6,6'-Thio-bis(perezone)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6,6'-Thio-bis(perezone)
SpectraBase Compound ID 6OADlySNEN2
InChI InChI=1S/C30H38O6S/c1-15(2)11-9-13-17(5)21-25(33)23(31)19(7)29(27(21)35)37-30-20(8)24(32)26(34)22(28(30)36)18(6)14-10-12-16(3)4/h11-12,17-18,33-34H,9-10,13-14H2,1-8H3/t17-,18+
InChIKey MTPPTBJASFKHIB-HDICACEKSA-N
Mol Weight 526.7 g/mol
Molecular Formula C30H38O6S
Exact Mass 526.23891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0qrgaiVtWv
Name 6,6'-Thio-bis(perezone)
Alternate Name(s) 2-(1,5-dimethyl-4-hexenyl)-6-{[5-(1,5-dimethyl-4-hexenyl)-4-hydroxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]sulfanyl}-3-hydroxy-5-methylbenzo-1,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38O6S
InChI InChI=1S/C30H38O6S/c1-15(2)11-9-13-17(5)21-25(33)23(31)19(7)29(27(21)35)37-30-20(8)24(32)26(34)22(28(30)36)18(6)14-10-12-16(3)4/h11-12,17-18,33-34H,9-10,13-14H2,1-8H3/t17-,18+
InChIKey MTPPTBJASFKHIB-HDICACEKSA-N
Molecular Weight 526.688 g/mol
SMILES OC1=C(C(C(SC2=C(C(C(=C(C2=O)[C@@](CCC=C(C)C)(C)[H])O)=O)C)=C(C1=O)C)=O)[C@](CCC=C(C)C)(C)[H]
SPLASH splash10-014j-3790020000-fa0daa002489fceab4eb
Source of Spectrum AH-128-656-7
Wiley ID 1402838