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N-[(t-Butoxy)carbonyl]-4-amino-3-methyl-4-[(p-tolylsulfonyl)methyl]-2,5-cyclohexadien-1-one
SpectraBase Compound ID KaIabzgjK7x
InChI InChI=1S/C20H25NO5S/c1-14-6-8-17(9-7-14)27(24,25)13-20(11-10-16(22)12-15(20)2)21-18(23)26-19(3,4)5/h6-12H,13H2,1-5H3,(H,21,23)
InChIKey ZGEAVVRTMPMXCU-UHFFFAOYSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LE2anneZaXh
Name N-[(t-Butoxy)carbonyl]-4-amino-3-methyl-4-[(p-tolylsulfonyl)methyl]-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO5S
InChI InChI=1S/C20H25NO5S/c1-14-6-8-17(9-7-14)27(24,25)13-20(11-10-16(22)12-15(20)2)21-18(23)26-19(3,4)5/h6-12H,13H2,1-5H3,(H,21,23)
InChIKey ZGEAVVRTMPMXCU-UHFFFAOYSA-N
Molecular Weight 391.482 g/mol
SMILES N(C(OC(C)(C)C)=O)C1(CS(c2ccc(cc2)C)(=O)=O)C(=CC(C=C1)=O)C
SPLASH splash10-059x-6900000000-4eda72ef65958179de2e
Source of Spectrum QE-14-630-18
Wiley ID 1691873