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2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(2-(methylthio)phenyl)acetamide

View entire compound with spectra: 2 NMR

2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(2-(methylthio)phenyl)acetamide
SpectraBase Compound ID 68pu5R30j8I
InChI InChI=1S/C18H18N2O3S/c1-24-13-5-3-2-4-12(13)19-14(21)9-20-17(22)15-10-6-7-11(8-10)16(15)18(20)23/h2-7,10-11,15-16H,8-9H2,1H3,(H,19,21)
InChIKey IZSQLYVOPDEZNN-UHFFFAOYSA-N
Mol Weight 342.41 g/mol
Molecular Formula C18H18N2O3S
Exact Mass 342.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOFSSuvOtDw
Name 2-(1,3-Dioxo-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(2-(methylthio)phenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.103813619 u
Formula C18H18N2O3S
InChI InChI=1S/C18H18N2O3S/c1-24-13-5-3-2-4-12(13)19-14(21)9-20-17(22)15-10-6-7-11(8-10)16(15)18(20)23/h2-7,10-11,15-16H,8-9H2,1H3,(H,19,21)
InChIKey IZSQLYVOPDEZNN-UHFFFAOYSA-N
Molecular Weight 342.413 g/mol
SMILES N(C(CN1C(C2C3C=CC(C2C1=O)C3)=O)=O)C=1C(SC)=CC=CC1