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W-18-d4
SpectraBase Compound ID 8QZecI0LUIn
InChI InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2/b21-19+/i6D,7D,10D,11D
InChIKey BKRSVROQVRTSND-BXAICLBDSA-N
Mol Weight 425.92 g/mol
Molecular Formula C19H16D4ClN3O4S
Exact Mass 425.111412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHqc68lNSuJ
Name W-18-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16D4ClN3O4S
InChI InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2/b21-19+/i6D,7D,10D,11D
InChIKey BKRSVROQVRTSND-BXAICLBDSA-N
Molecular Weight 425.923 g/mol
SMILES c1(c(c(c(c(c1[D])S(\N=C/1N(CCCC1)CCc1ccc(cc1)[N+](=O)[O-])(=O)=O)[D])[D])Cl)[D]
SPLASH splash10-03xr-5960000000-5f3ac5dd75992db2307d
Source of Spectrum SWG-33-4561-0
Synonyms (E)-4-chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide-2,3,5,6-d4
Wiley ID 1811161