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2-(phenylthio)cyclododecanone
SpectraBase Compound ID BvOG6JJ38Nt
InChI InChI=1S/C18H26OS/c19-17-14-10-5-3-1-2-4-6-11-15-18(17)20-16-12-8-7-9-13-16/h7-9,12-13,18H,1-6,10-11,14-15H2
InChIKey XXVUAQSDXPMMDV-UHFFFAOYSA-N
Mol Weight 290.46 g/mol
Molecular Formula C18H26OS
Exact Mass 290.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DzbcwxMkIq
Name 2-(Phenylthio)-1-cyclododecanone
CAS Registry Number 125540-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26OS
InChI InChI=1S/C18H26OS/c19-17-14-10-5-3-1-2-4-6-11-15-18(17)20-16-12-8-7-9-13-16/h7-9,12-13,18H,1-6,10-11,14-15H2
InChIKey XXVUAQSDXPMMDV-UHFFFAOYSA-N
Molecular Weight 290.465 g/mol
SMILES C1(Sc2ccccc2)C(=O)CCCCCCCCCC1
SPLASH splash10-0btc-9760000000-7a6bfef1d77497b85332
Source of Spectrum KC-1989-306-11
Synonyms 2-(Phenylthio)cyclododecanone 2-Phenylsulfanylcyclododecan-1-one
Wiley ID 1293873