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1,5-DITHIASPIRO[5.5]UNDECANE-2-PENTANOIC ACID, 10-METHYL-7-(1-METHYLETHYL)-, 1-OXIDE, [1R-[1alpha,2beta,6beta(7S*,10R*)]]-
SpectraBase Compound ID 4YA81CrC6mx
InChI InChI=1S/C18H32O3S2/c1-13(2)16-9-8-14(3)12-18(16)22-11-10-15(23(18)21)6-4-5-7-17(19)20/h13-16H,4-12H2,1-3H3,(H,19,20)
InChIKey UEEUFKHPQGAVAT-UHFFFAOYSA-N
Mol Weight 360.6 g/mol
Molecular Formula C18H32O3S2
Exact Mass 360.179287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G74HTGCRSCW
Name 1,5-Dithiaspiro[5.5]undecane-2-pentanoic acid, 10-methyl-7-(1-methylethyl)-, 1-oxide, [1R-[1.alpha.,2.beta.,6.beta.(7S*,10R*)]]-
CAS Registry Number 114113-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3S2
InChI InChI=1S/C18H32O3S2/c1-13(2)16-9-8-14(3)12-18(16)22-11-10-15(23(18)21)6-4-5-7-17(19)20/h13-16H,4-12H2,1-3H3,(H,19,20)
InChIKey UEEUFKHPQGAVAT-UHFFFAOYSA-N
Molecular Weight 360.571 g/mol
SMILES OC(CCCCC1S(C2(CC(CCC2C(C)C)C)SCC1)=O)=O
SPLASH splash10-053g-9510000000-8629f8dcc3b6d8971aaf
Synonyms 5-(7-Isopropyl-10-methyl-1-oxido-1,5-dithiaspiro[5.5]undec-2-yl)pentanoic acid 5-(8-Methyl-5-oxo-11-propan-2-yl-1,5$l^{4}-dithiaspiro[5.5]undecan-4-yl)pentanoic acid 5-(11-isopropyl-8-methyl-5-oxo-1,5$l^{4}-dithiaspiro[5.5]undecan-4-yl)pentanoic acid 5-(8-Methyl-5-oxidanylidene-11-propan-2-yl-1,5$l^{4}-dithiaspiro[5.5]undecan-4-yl)pentanoic acid
Wiley ID 1485667