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3,6,9,12,18-pentaoxa-16-thiabicyco[12.3.1]octadecans 16,16-dioxide
SpectraBase Compound ID 2fMxhVj67qk
InChI InChI=1S/C12H22O7S/c13-20(14)9-11-7-17-5-3-15-1-2-16-4-6-18-8-12(10-20)19-11/h11-12H,1-10H2/t11-,12+
InChIKey NIDFKXRPXCELJJ-TXEJJXNPSA-N
Mol Weight 310.36 g/mol
Molecular Formula C12H22O7S
Exact Mass 310.108624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uwK1WRflMs
Name 3,6,9,12,18-pentaoxa-16-thiabicyco[12.3.1]octadecans 16,16-dioxide
Alternate Name(s) 3,6,9,12,18-pentaoxa-16-thiabicyclo[12.3.1]octadecane 16,16-dioxide
CAS Registry Number 100205-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O7S
InChI InChI=1S/C12H22O7S/c13-20(14)9-11-7-17-5-3-15-1-2-16-4-6-18-8-12(10-20)19-11/h11-12H,1-10H2/t11-,12+
InChIKey NIDFKXRPXCELJJ-TXEJJXNPSA-N
Molecular Weight 310.361 g/mol
SMILES C1S(C[C@@]2(COCCOCCOCCOC[C@]1(O2)[H])[H])(=O)=O
SPLASH splash10-052p-9100000000-af683647b5e5d3218c61
Source of Spectrum J-51-1130-5
Wiley ID 1311103