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2-(4-methylphenyl)sulfonyl-5,6,7,8,9,9a-hexahydropyrrolo[1,5-a]azepin-3-one
SpectraBase Compound ID Cy9z3yIgLnF
InChI InChI=1S/C16H19NO3S/c1-12-6-8-14(9-7-12)21(19,20)15-11-13-5-3-2-4-10-17(13)16(15)18/h6-9,11,13H,2-5,10H2,1H3
InChIKey GUVHDHDMAXCUNM-UHFFFAOYSA-N
Mol Weight 305.39 g/mol
Molecular Formula C16H19NO3S
Exact Mass 305.108565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XrGlq7YFTG
Name 2-(4-methylphenyl)sulfonyl-5,6,7,8,9,9a-hexahydropyrrolo[1,5-a]azepin-3-one
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19NO3S
InChI InChI=1S/C16H19NO3S/c1-12-6-8-14(9-7-12)21(19,20)15-11-13-5-3-2-4-10-17(13)16(15)18/h6-9,11,13H,2-5,10H2,1H3
InChIKey GUVHDHDMAXCUNM-UHFFFAOYSA-N
Literature Reference Author B.L.WILLIAMSON,R.R.TYKWINSKI,P.J.STANG
Literature Reference Citation J.AM.CHEM.SOC.,116,93(1994)
Literature Reference DOI 10.1021/ja00080a011
Molecular Weight 305.392 g/mol
Solvent CD2Cl2
Source File Reference UWRU6924