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(3R, 4S)-3-[(3.xi.)-3'-Hydroxybutyl]-4-octylcyclopentanone-Ethylene Dithioacetal
SpectraBase Compound ID 40yRYp2Txyi
InChI InChI=1S/C19H36OS2/c1-3-4-5-6-7-8-9-17-14-19(21-12-13-22-19)15-18(17)11-10-16(2)20/h16-18,20H,3-15H2,1-2H3/t16?,17-,18+/m0/s1
InChIKey LYZQTMZENJNXJB-UQJFVLDMSA-N
Mol Weight 344.6 g/mol
Molecular Formula C19H36OS2
Exact Mass 344.220758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14WsaeAri4n
Name (3R, 4S)-3-[(3.xi.)-3'-Hydroxybutyl]-4-octylcyclopentanone-Ethylene Dithioacetal
Alternate Name(s) 4-((7R,8S)-8-Octyl-1,4-dithia-spiro[4.4]non-7-yl)-butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36OS2
InChI InChI=1S/C19H36OS2/c1-3-4-5-6-7-8-9-17-14-19(21-12-13-22-19)15-18(17)11-10-16(2)20/h16-18,20H,3-15H2,1-2H3/t16?,17-,18+/m0/s1
InChIKey LYZQTMZENJNXJB-UQJFVLDMSA-N
Molecular Weight 344.616 g/mol
SMILES OC(CC[C@@]1(CC2(SCCS2)C[C@@]1(CCCCCCCC)[H])[H])C
SPLASH splash10-000x-0095000000-e0ffa67e0a1aa53207d8
Source of Spectrum E1-34-554-8
Wiley ID 1710382