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Cyclododecanone, 2,12-bis(phenylthio)-
SpectraBase Compound ID AemiGQnK9Zo
InChI InChI=1S/C24H30OS2/c25-24-22(26-20-14-8-6-9-15-20)18-12-4-2-1-3-5-13-19-23(24)27-21-16-10-7-11-17-21/h6-11,14-17,22-23H,1-5,12-13,18-19H2
InChIKey BZZDMBZFRSPSPW-UHFFFAOYSA-N
Mol Weight 398.62 g/mol
Molecular Formula C24H30OS2
Exact Mass 398.173808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UAQGlJedN4
Name Cyclododecanone, 2,12-bis(phenylthio)-
Alternate Name(s) 2,12-Bis(phenylsulfanyl)cyclododecanone 2,12-Bis(phenylthis)cyclododecanone
CAS Registry Number 60774-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30OS2
InChI InChI=1S/C24H30OS2/c25-24-22(26-20-14-8-6-9-15-20)18-12-4-2-1-3-5-13-19-23(24)27-21-16-10-7-11-17-21/h6-11,14-17,22-23H,1-5,12-13,18-19H2
InChIKey BZZDMBZFRSPSPW-UHFFFAOYSA-N
Molecular Weight 398.623 g/mol
SMILES C1(C(Sc2ccccc2)CCCCCCCCCC1Sc1ccccc1)=O
SPLASH splash10-0ck9-9321000000-c4ced59a2582cc6ff14e
Source of Spectrum C-98-4899-0
Wiley ID 1368535