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N-phenyl-1,2,3,4-tetramethyl-7-thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide 7-oxide

View entire compound with spectra: 1 FTIR

N-phenyl-1,2,3,4-tetramethyl-7-thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide 7-oxide
SpectraBase Compound ID EGNV8OaveO6
InChI InChI=1S/C18H19NO3S/c1-10-11(2)18(4)14-13(17(10,3)23(18)22)15(20)19(16(14)21)12-8-6-5-7-9-12/h5-9,13-14H,1-4H3/t13?,14?,17-,18+,23?
InChIKey KVBOIXWAQODCKS-BOUQYLPOSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CWolGMbXv5W
Name N-Phenyl-1,2,3,4-tetramethyl-7-thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide 7-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.108564647 u
Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-10-11(2)18(4)14-13(17(10,3)23(18)22)15(20)19(16(14)21)12-8-6-5-7-9-12/h5-9,13-14H,1-4H3/t13?,14?,17-,18+,23?
InChIKey KVBOIXWAQODCKS-BOUQYLPOSA-N
Molecular Weight 329.414 g/mol
SMILES [C@]12([S@]([C@](C3C(N(C(C23)=O)C2=CC=CC=C2)=O)(C(C)=C1C)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863351