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4-({3,6,10,13-Tetrathiacyclotetradecyl}oxy)phthalonitrile
SpectraBase Compound ID fCS8igGAmO
InChI InChI=1S/C18H22N2OS4/c19-11-15-2-3-17(10-16(15)12-20)21-18-13-24-8-6-22-4-1-5-23-7-9-25-14-18/h2-3,10,18H,1,4-9,13-14H2
InChIKey JJFIQPOLHZWPGC-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C18H22N2OS4
Exact Mass 410.061498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tmmMbPzcG
Name 4-({3,6,10,13-Tetrathiacyclotetradecyl}oxy)phthalonitrile
Alternate Name(s) 4-(1,4,8,11-tetrathiacyclotetradecan-6-yloxy)phthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2OS4
InChI InChI=1S/C18H22N2OS4/c19-11-15-2-3-17(10-16(15)12-20)21-18-13-24-8-6-22-4-1-5-23-7-9-25-14-18/h2-3,10,18H,1,4-9,13-14H2
InChIKey JJFIQPOLHZWPGC-UHFFFAOYSA-N
Molecular Weight 410.627 g/mol
SMILES C(#N)c1c(C#N)ccc(c1)OC1CSCCSCCCSCCSC1
SPLASH splash10-08fr-6841900000-917fcf3f278083e16669
Source of Spectrum C3-25-1586-2
Wiley ID 879894