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3,6,9,12,18-pentaoxa-16-thiabicyclo[12.3.1]octadecane
SpectraBase Compound ID 6TsCpfER3sa
InChI InChI=1S/C12H22O5S/c1-2-14-4-6-16-8-12-10-18-9-11(17-12)7-15-5-3-13-1/h11-12H,1-10H2
InChIKey GKFWPFXZSYZPIS-UHFFFAOYSA-N
Mol Weight 278.36 g/mol
Molecular Formula C12H22O5S
Exact Mass 278.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40kIEH4WW2t
Name 3,6,9,12,18-pentaoxa-16-thiabicyclo[12.3.1]octadecane
CAS Registry Number 100205-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O5S
InChI InChI=1S/C12H22O5S/c1-2-14-4-6-16-8-12-10-18-9-11(17-12)7-15-5-3-13-1/h11-12H,1-10H2
InChIKey GKFWPFXZSYZPIS-UHFFFAOYSA-N
Molecular Weight 278.363 g/mol
SMILES C12OC(CSC2)COCCOCCOCCOC1
SPLASH splash10-007a-9210000000-4c598498c031820dcc33
Source of Spectrum J-51-1129-3
Wiley ID 1281568