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2-[(2'-Benzoyloxyethyl)sulfonyl]-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole
SpectraBase Compound ID 1JF0Gt1ikHh
InChI InChI=1S/C21H25NO4S/c1-20(2)17-12-8-9-13-18(17)21(3,4)22(20)27(24,25)15-14-26-19(23)16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3
InChIKey OZKKKYXANPCANI-UHFFFAOYSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KlwM6q3wAL
Name 2-[(2'-Benzoyloxyethyl)sulfonyl]-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole
Alternate Name(s) 2-[(1,1,3,3-tetramethyl-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]ethyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO4S
InChI InChI=1S/C21H25NO4S/c1-20(2)17-12-8-9-13-18(17)21(3,4)22(20)27(24,25)15-14-26-19(23)16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3
InChIKey OZKKKYXANPCANI-UHFFFAOYSA-N
Molecular Weight 387.494 g/mol
SMILES C(S(N1C(c2ccccc2C1(C)C)(C)C)(=O)=O)COC(=O)c1ccccc1
SPLASH splash10-01pa-0559000000-2175b6ffffd9b2763e48
Source of Spectrum B-54-317-11
Wiley ID 840864