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N-Phenyl-[S-(piperidinylsulfanyl)]-C-methoxyisothiocyanate
SpectraBase Compound ID IHYwtrMXHy
InChI InChI=1S/C13H18N2OS2/c1-16-13(14-12-8-4-2-5-9-12)17-18-15-10-6-3-7-11-15/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b14-13-
InChIKey WDFUGCNGUDYJHX-YPKPFQOOSA-N
Mol Weight 282.42 g/mol
Molecular Formula C13H18N2OS2
Exact Mass 282.086056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26tqZOWxucq
Name N-Phenyl-[S-(piperidinylsulfanyl)]-C-methoxyisothiocyanate
Alternate Name(s) 1-{[(Z)-methoxy(phenylimino)methyl]disulfanyl}piperidine
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Formula C13H18N2OS2
InChI InChI=1S/C13H18N2OS2/c1-16-13(14-12-8-4-2-5-9-12)17-18-15-10-6-3-7-11-15/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b14-13-
InChIKey WDFUGCNGUDYJHX-YPKPFQOOSA-N
Molecular Weight 282.420 g/mol
SMILES c1(\N=C/(SSN2CCCCC2)OC)ccccc1
SPLASH splash10-00lr-0900000000-8b89c3faea7ae7355ead
Source of Spectrum F9-1990-1450-0
Wiley ID 1566245