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17'-(benzenesulfinyl)-17'-chloro-spiro[1,3-dioxolane-2,9'-bicyclo[14.1.0]heptadecane]
SpectraBase Compound ID 3La2XCcrEgr
InChI InChI=1S/C25H37ClO3S/c26-25(30(27)21-13-7-6-8-14-21)22-15-9-2-1-4-11-17-24(28-19-20-29-24)18-12-5-3-10-16-23(22)25/h6-8,13-14,22-23H,1-5,9-12,15-20H2
InChIKey DMSJKEBFIVTFDL-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C25H37ClO3S
Exact Mass 452.215194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OJqmkjaP8X
Name 17'-(benzenesulfinyl)-17'-chloro-spiro[1,3-dioxolane-2,9'-bicyclo[14.1.0]heptadecane]
Alternate Name(s) 17'-chloranyl-17'-(phenylsulfinyl)spiro[1,3-dioxolane-2,9'-bicyclo[14.1.0]heptadecane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37ClO3S
InChI InChI=1S/C25H37ClO3S/c26-25(30(27)21-13-7-6-8-14-21)22-15-9-2-1-4-11-17-24(28-19-20-29-24)18-12-5-3-10-16-23(22)25/h6-8,13-14,22-23H,1-5,9-12,15-20H2
InChIKey DMSJKEBFIVTFDL-UHFFFAOYSA-N
Molecular Weight 453.081 g/mol
SMILES C12CCCCCCC3(CCCCCCCC2C1(S(=O)c1ccccc1)Cl)OCCO3
SPLASH splash10-004i-0009000000-0e53ce7dd08712864488
Source of Spectrum KC-57-5374-15
Wiley ID 1624667