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(3a.alpha.,4E,7.alpha.,7a.alpha.)-4-(1-Cyano-2,2-dimethylpropylidene)-2-(dimethylamino)-7-(1,1-dimethylethyl)-3a,6,7,7a-tetrahydro-6-oxo-4H-pyrano(4,3-d)thiazole-7-carbonitrile

View entire compound with spectra: 1 MS (GC)

(3a.alpha.,4E,7.alpha.,7a.alpha.)-4-(1-Cyano-2,2-dimethylpropylidene)-2-(dimethylamino)-7-(1,1-dimethylethyl)-3a,6,7,7a-tetrahydro-6-oxo-4H-pyrano(4,3-d)thiazole-7-carbonitrile
SpectraBase Compound ID B2H9fSqa8W
InChI InChI=1S/C19H26N4O2S/c1-17(2,3)11(9-20)12-13-14(22-16(26-13)23(7)8)19(10-21,15(24)25-12)18(4,5)6/h13-14H,1-8H3/b12-11-/t13-,14-,19-/m0/s1
InChIKey JRCAOZCKWOCQIJ-CHJFKZIMSA-N
Mol Weight 374.5 g/mol
Molecular Formula C19H26N4O2S
Exact Mass 374.177647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98qynOhuVHY
Name (3a.alpha.,4E,7.alpha.,7a.alpha.)-4-(1-Cyano-2,2-dimethylpropylidene)-2-(dimethylamino)-7-(1,1-dimethylethyl)-3a,6,7,7a-tetrahydro-6-oxo-4H-pyrano(4,3-d)thiazole-7-carbonitrile
CAS Registry Number 72258-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N4O2S
InChI InChI=1S/C19H26N4O2S/c1-17(2,3)11(9-20)12-13-14(22-16(26-13)23(7)8)19(10-21,15(24)25-12)18(4,5)6/h13-14H,1-8H3/b12-11-/t13-,14-,19-/m0/s1
InChIKey JRCAOZCKWOCQIJ-CHJFKZIMSA-N
Molecular Weight 374.503 g/mol
SMILES [C@]12(\C(OC([C@@]([C@]2(N=C(S1)N(C)C)[H])(C#N)C(C)(C)C)=O)=C/(C#N)C(C)(C)C)[H]
SPLASH splash10-0a6r-4910000000-ddea1dfaf15d206f7d7c
Source of Spectrum J-45-625-0
Synonyms (3aR,4E,7S,7aR)-7-tert-butyl-4-(1-cyano-2,2-dimethylpropylidene)-2-(dimethylamino)-6-oxo-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]thiazole-7-carbonitrile
Wiley ID 1356549