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7-Thia-1-phosphabicyclo[2.2.1]hept-5-ene-3-carbonitrile, 4-(1,1-dimethylethyl)-6-(4-methylphenyl)-, 1-sulfide, endo-
SpectraBase Compound ID 2F4TBkTCSGz
InChI InChI=1S/C17H20NPS2/c1-12-5-7-13(8-6-12)15-9-17(16(2,3)4)14(10-18)11-19(15,20)21-17/h5-9,14H,11H2,1-4H3/t14-,17-,19-/m1/s1
InChIKey OONFMZMIVHUKHM-LSBZLQRGSA-N
Mol Weight 333.45 g/mol
Molecular Formula C17H20NPS2
Exact Mass 333.077479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j1aSfIwqPm
Name 7-Thia-1-phosphabicyclo[2.2.1]hept-5-ene-3-carbonitrile, 4-(1,1-dimethylethyl)-6-(4-methylphenyl)-, 1-sulfide, endo-
Alternate Name(s) 4-tert-Butyl-6-(4-methylphenyl)-7-thia-1-phosphabicyclo[2.2.1]hept-5-ene-3-carbonitrile 1-sulfide endo- 4-t-endo-5-cyano-2-(p-methylphenyl)-7-thia-1-phosphabicyclo[2.2.1]hept-2-ene 1-sulfide
CAS Registry Number 98039-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20NPS2
InChI InChI=1S/C17H20NPS2/c1-12-5-7-13(8-6-12)15-9-17(16(2,3)4)14(10-18)11-19(15,20)21-17/h5-9,14H,11H2,1-4H3/t14-,17-,19-/m1/s1
InChIKey OONFMZMIVHUKHM-LSBZLQRGSA-N
Molecular Weight 333.448 g/mol
SMILES [C@]12(S[P@](C[C@]2(C#N)[H])(C(=C1)c1ccc(cc1)C)=S)C(C)(C)C
SPLASH splash10-001i-0090000000-b57d34eba49b85d6ea8b
Source of Spectrum AJ-58-673-6
Wiley ID 1330178