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N-(2,3,3a,4,7,7a-Hexahydro-2,4,6-trimethyl-1,3-dioxo-1H-isoindol-7-yl)-N-methyl-3-phenylpropiolamide
SpectraBase Compound ID 1eHXusxjBcx
InChI InChI=1S/C21H22N2O3/c1-13-12-14(2)19(18-17(13)20(25)23(4)21(18)26)22(3)16(24)11-10-15-8-6-5-7-9-15/h5-9,12-13,17-19H,1-4H3
InChIKey PWNFYPPFUTWGHJ-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2baQG8rjbT
Name N-(2,3,3a,4,7,7a-Hexahydro-2,4,6-trimethyl-1,3-dioxo-1H-isoindol-7-yl)-N-methyl-3-phenylpropiolamide
Alternate Name(s) N-methyl-3-phenyl-N-(2,5,7-trimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-2-propynamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-13-12-14(2)19(18-17(13)20(25)23(4)21(18)26)22(3)16(24)11-10-15-8-6-5-7-9-15/h5-9,12-13,17-19H,1-4H3
InChIKey PWNFYPPFUTWGHJ-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES C(C#Cc1ccccc1)(=O)N(C)C1C(=CC(C2C(N(C(C12)=O)C)=O)C)C
SPLASH splash10-004i-0920000000-4f98556fe69bfc9e261c
Source of Spectrum KC-61-11339-6
Wiley ID 1631342