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3,3-Dimethyl-N-tosyl-9-cyano-5-aza-2-oxatricyclo[5.4.0.0(4,6)]undeca-1(11),7,9-triene
SpectraBase Compound ID IoBcKsSxAfj
InChI InChI=1S/C19H18N2O3S/c1-12-4-7-14(8-5-12)25(22,23)21-17-15-10-13(11-20)6-9-16(15)24-19(2,3)18(17)21/h4-10,17-18H,1-3H3
InChIKey KXEYENGCIPADJO-UHFFFAOYSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hkr3RJ25syi
Name 3,3-Dimethyl-N-tosyl-9-cyano-5-aza-2-oxatricyclo[5.4.0.0(4,6)]undeca-1(11),7,9-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c1-12-4-7-14(8-5-12)25(22,23)21-17-15-10-13(11-20)6-9-16(15)24-19(2,3)18(17)21/h4-10,17-18H,1-3H3
InChIKey KXEYENGCIPADJO-UHFFFAOYSA-N
Molecular Weight 354.424 g/mol
SMILES c12OC(C3N(C3c1cc(cc2)C#N)S(=O)(=O)c1ccc(C)cc1)(C)C
SPLASH splash10-0005-6900000000-6f55da29fcdd4a88c596
Source of Spectrum QE-12-4573-11
Synonyms 2,2-Dimethyl-1-[(4-methylphenyl)sulfonyl]-1,1a,2,7b-tetrahydrochromeno[3,4-b]azirine-6-carbonitrile 2,2-Dimethyl-1-(4-methylphenyl)sulfonyl-1a,7b-dihydro[1]benzopyrano[3,4-b]azirine-6-carbonitrile 2,2-Dimethyl-1-(p-tolylsulfonyl)-1a,7b-dihydrochromeno[3,4-b]azirine-6-carbonitrile 2,2-Dimethyl-1-(4-methylphenyl)sulfonyl-1a,7b-dihydrochromeno[3,4-b]azirine-6-carbonitrile
Wiley ID 1587089