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Cyclododecanone, 2-(acetyloxy)-2-(phenylthio)-
SpectraBase Compound ID 1ObHjTPZi39
InChI InChI=1S/C20H28O3S/c1-17(21)23-20(24-18-13-9-8-10-14-18)16-12-7-5-3-2-4-6-11-15-19(20)22/h8-10,13-14H,2-7,11-12,15-16H2,1H3
InChIKey TWRIJCNJCPBCPQ-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C20H28O3S
Exact Mass 348.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Xv9io7gg4
Name Cyclododecanone, 2-(acetyloxy)-2-(phenylthio)-
CAS Registry Number 63608-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3S
InChI InChI=1S/C20H28O3S/c1-17(21)23-20(24-18-13-9-8-10-14-18)16-12-7-5-3-2-4-6-11-15-19(20)22/h8-10,13-14H,2-7,11-12,15-16H2,1H3
InChIKey TWRIJCNJCPBCPQ-UHFFFAOYSA-N
Molecular Weight 348.501 g/mol
SMILES C1(OC(=O)C)(Sc2ccccc2)C(=O)CCCCCCCCCC1
SPLASH splash10-0k9f-9544000000-3d1ae42f1a2f760cdd49
Source of Spectrum C-99-4410-0
Synonyms 2-Oxo-1-(phenylsulfanyl)cyclododecyl acetate Acetic acid [2-oxo-1-(phenylthio)cyclododecyl] ester (2-oxo-1-phenylsulfanylcyclododecyl) acetate (2-oxo-1-phenylsulfanyl-cyclododecyl) acetate (2-oxidanylidene-1-phenylsulfanyl-cyclododecyl) ethanoate
Wiley ID 1340681