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12-(Phenylthio)dodecanenitrile

View entire compound with spectra: 1 MS (GC)

12-(Phenylthio)dodecanenitrile
SpectraBase Compound ID 6P5z1K17awQ
InChI InChI=1S/C18H27NS/c19-16-12-7-5-3-1-2-4-6-8-13-17-20-18-14-10-9-11-15-18/h9-11,14-15H,1-8,12-13,17H2
InChIKey DDOXGDCOHNMKDE-UHFFFAOYSA-N
Mol Weight 289.48 g/mol
Molecular Formula C18H27NS
Exact Mass 289.186421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nBH8AAgoi
Name 12-(Phenylthio)dodecanenitrile
Alternate Name(s) 12-(Phenylthio)lauronitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NS
InChI InChI=1S/C18H27NS/c19-16-12-7-5-3-1-2-4-6-8-13-17-20-18-14-10-9-11-15-18/h9-11,14-15H,1-8,12-13,17H2
InChIKey DDOXGDCOHNMKDE-UHFFFAOYSA-N
Molecular Weight 289.481 g/mol
SMILES C(#N)CCCCCCCCCCCSc1ccccc1
SPLASH splash10-03dr-0890000000-bdd78c5790485fc5f4b9
Source of Spectrum J-58-2412-11
Wiley ID 1292842