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.alpha.-deuteroanilino-.beta.-trideuteromethoxycrotonic acid 2,5-dichloro-deuteroanilide
SpectraBase Compound ID F16pZBmpDaV
InChI InChI=1S/C17H16Cl2N2O2/c1-11(23-2)16(20-13-6-4-3-5-7-13)17(22)21-15-10-12(18)8-9-14(15)19/h3-10,20H,1-2H3,(H,21,22)/b16-11+/i2D3/hD
InChIKey IFQBIEJNZSKSLH-UKVCZSDSSA-N
Mol Weight 355.26 g/mol
Molecular Formula C17H122D4Cl2N2O2
Exact Mass 354.08399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyrexkLXQCP
Name .alpha.-deuteroanilino-.beta.-trideuteromethoxycrotonic acid 2,5-dichloro-deuteroanilide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12D4Cl2N2O2
InChI InChI=1S/C17H16Cl2N2O2/c1-11(23-2)16(20-13-6-4-3-5-7-13)17(22)21-15-10-12(18)8-9-14(15)19/h3-10,20H,1-2H3,(H,21,22)/b16-11+/i2D3/hD
InChIKey IFQBIEJNZSKSLH-UKVCZSDSSA-N
Molecular Weight 355.257 g/mol
SMILES N(C(\C(N(c1ccccc1)[2D])=C\(OC([2D])([2D])[2D])C)=O)c1cc(Cl)ccc1Cl
SPLASH splash10-0kdj-5911000000-4a663b693e62bbab090d
Source of Spectrum UN-1982-0-0
Wiley ID 1341782