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Cyclopentanecarboxaldehyde, 2-methyl-1-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-5-(1-methylethyl)-, (1.alpha.,2.alpha.,5.alpha.)-
SpectraBase Compound ID 78yY3oY532q
InChI InChI=1S/C16H28OS2/c1-12(2)14-6-5-13(3)16(14,11-17)8-7-15(4)18-9-10-19-15/h11-14H,5-10H2,1-4H3/t13-,14-,16-/m1/s1
InChIKey HKFJODMKDBEYLG-IIAWOOMASA-N
Mol Weight 300.52 g/mol
Molecular Formula C16H28OS2
Exact Mass 300.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8raa3xqgl0z
Name Cyclopentanecarboxaldehyde, 2-methyl-1-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-5-(1-methylethyl)-, (1.alpha.,2.alpha.,5.alpha.)-
CAS Registry Number 57683-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28OS2
InChI InChI=1S/C16H28OS2/c1-12(2)14-6-5-13(3)16(14,11-17)8-7-15(4)18-9-10-19-15/h11-14H,5-10H2,1-4H3/t13-,14-,16-/m1/s1
InChIKey HKFJODMKDBEYLG-IIAWOOMASA-N
Molecular Weight 300.519 g/mol
SMILES [C@@]1([C@](CC[C@]1(C)[H])(C(C)C)[H])(CCC1(SCCS1)C)C=O
SPLASH splash10-014i-5900000000-6b6043077d28bbc4beb6
Source of Spectrum C-97-5876-0
Synonyms (1R,2R,5R)-2-isopropyl-5-methyl-1-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]cyclopentanecarbaldehyde (Z)-2-Isopropyl-1-(3'.3'-ethylenedithiobutyl)-(Z)-5-methylcyclopentane-1-carboxaldehyde
Wiley ID 1302802