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3-Benzoyl-2-(ethoxycarbonyl-thiocarbamoyl)-2-azabicyclo[2.2.1]hept-5-ene
SpectraBase Compound ID aptJMXMrEw
InChI InChI=1S/C17H18N2O3S/c1-2-22-17(21)18-16(23)19-13-9-8-12(10-13)14(19)15(20)11-6-4-3-5-7-11/h3-9,12-14H,2,10H2,1H3,(H,18,21,23)
InChIKey VQRGUVFZSKBGJT-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C17H18N2O3S
Exact Mass 330.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qPt8XuJGpK
Name 3-Benzoyl-2-(ethoxycarbonyl-thiocarbamoyl)-2-azabicyclo[2.2.1]hept-5-ene
Alternate Name(s) Ethyl (3-benzoyl-2-azabicyclo[2.2.1]hept-5-en-2-yl)carbothioylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O3S
InChI InChI=1S/C17H18N2O3S/c1-2-22-17(21)18-16(23)19-13-9-8-12(10-13)14(19)15(20)11-6-4-3-5-7-11/h3-9,12-14H,2,10H2,1H3,(H,18,21,23)
InChIKey VQRGUVFZSKBGJT-UHFFFAOYSA-N
Molecular Weight 330.402 g/mol
SMILES N(C(N1C(C2CC1C=C2)C(=O)c1ccccc1)=S)C(=O)OCC
SPLASH splash10-0a4i-0900000000-75c739a722c7d909f934
Source of Spectrum AJ-67-3086-13
Wiley ID 772861