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Sulfoximine, N-[2-(methoxycarbonyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-S,S-di(methyl-D3)-
SpectraBase Compound ID Hs7UPcm39K6
InChI InChI=1S/C16H16N2O5S/c1-23-16(21)13-14(18-24(2,3)22)12(19)9-11(15(13)20)17-10-7-5-4-6-8-10/h4-9,17H,1-3H3/i2D3,3D3
InChIKey HCAMKVHNRDDJFU-XERRXZQWSA-N
Mol Weight 354.41 g/mol
Molecular Formula C16H102D6N2O5S
Exact Mass 354.115653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwxtxDa5qKJ
Name Sulfoximine, N-[2-(methoxycarbonyl)-3,6-dioxo-4-(phenylamino)-1,4-cyclohexadien-1-yl]-S,S-di(methyl-D3)-
CAS Registry Number 99336-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10D6N2O5S
InChI InChI=1S/C16H16N2O5S/c1-23-16(21)13-14(18-24(2,3)22)12(19)9-11(15(13)20)17-10-7-5-4-6-8-10/h4-9,17H,1-3H3/i2D3,3D3
InChIKey HCAMKVHNRDDJFU-XERRXZQWSA-N
Molecular Weight 354.410 g/mol
SMILES N(C1=CC(C(=C(C1=O)C(=O)OC)N=S(=O)(C([2D])([2D])[2D])C([2D])([2D])[2D])=O)c1ccccc1
SPLASH splash10-0006-0904000000-6d5c841f7467e086fdb6
Source of Spectrum Y-22-709-5
Synonyms 5-Anilino-3-methoxycarbonyl-2-hexadeuteriodimethylsulfoximido-1,4-benzoquinone
Wiley ID 1340384