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Ethyl 2-(Phenylthiocarbamoyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
SpectraBase Compound ID 66cnInnyvHs
InChI InChI=1S/C16H18N2O2S/c1-2-20-15(19)14-11-8-9-13(10-11)18(14)16(21)17-12-6-4-3-5-7-12/h3-9,11,13-14H,2,10H2,1H3,(H,17,21)
InChIKey PPJUPNMJNSQVDZ-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C16H18N2O2S
Exact Mass 302.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKik5xfhzPy
Name Ethyl 2-(Phenylthiocarbamoyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Alternate Name(s) Ethyl 2-(anilinocarbothioyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O2S
InChI InChI=1S/C16H18N2O2S/c1-2-20-15(19)14-11-8-9-13(10-11)18(14)16(21)17-12-6-4-3-5-7-12/h3-9,11,13-14H,2,10H2,1H3,(H,17,21)
InChIKey PPJUPNMJNSQVDZ-UHFFFAOYSA-N
Molecular Weight 302.392 g/mol
SMILES N(C(N1C2C=CC(C1C(=O)OCC)C2)=S)c1ccccc1
SPLASH splash10-0fbi-9807000000-47bde399cdd9dcd5af43
Source of Spectrum AJ-67-3085-6
Wiley ID 772867