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7-Thia-1-phosphabicyclo[2.2.1]hept-5-ene-3-carbonitrile, 4-(1,1-dimethylethyl)-6-phenyl-, 1-sulfide, endo-
SpectraBase Compound ID 1p9okUslqCA
InChI InChI=1S/C16H18NPS2/c1-15(2,3)16-9-14(12-7-5-4-6-8-12)18(19,20-16)11-13(16)10-17/h4-9,13H,11H2,1-3H3/t13-,16-,18-/m1/s1
InChIKey LBOBXEBVADHHAJ-MZMPZRCHSA-N
Mol Weight 319.42 g/mol
Molecular Formula C16H18NPS2
Exact Mass 319.061829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Go7BMfG3oXe
Name 7-Thia-1-phosphabicyclo[2.2.1]hept-5-ene-3-carbonitrile, 4-(1,1-dimethylethyl)-6-phenyl-, 1-sulfide, endo-
CAS Registry Number 93032-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18NPS2
InChI InChI=1S/C16H18NPS2/c1-15(2,3)16-9-14(12-7-5-4-6-8-12)18(19,20-16)11-13(16)10-17/h4-9,13H,11H2,1-3H3/t13-,16-,18-/m1/s1
InChIKey LBOBXEBVADHHAJ-MZMPZRCHSA-N
Molecular Weight 319.421 g/mol
SMILES [C@]12(S[P@](C[C@]2(C#N)[H])(C(=C1)c1ccccc1)=S)C(C)(C)C
SPLASH splash10-014i-0090000000-70fc0366669278a7c896
Source of Spectrum AJ-58-673-6
Synonyms 7-Thia-1-phosphabicyclo[2.2.1]hept-5-ene-3-carbonitrile, 4-(1,1-dimethylethyl)-6-phenyl-, 1-sulfide, exo- 4-t-butyl-endo-5-cyano-2-phenyl-7-thia-1-phosphabicyclo[2.2.1]hept-2-ene 1-sulphide 4-t-butyl-endo-5-cyano-2-phenyl-7-thia-1-phosphabicytclo[2.2.1]-hept-2-ene 1-sulfide 4-t-butyl-exo-5-cyano-2-phenyl7-thia-1-phosphabicyclo[2.2.1]-hept-2-ene 1-sulfide 4-tert-Butyl-6-phenyl-7-thia-1-phosphabicyclo[2.2.1]hept-5-ene-3-carbonitrile 1-sulfide
Wiley ID 1319288