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N,N-didesmethyl U-47700
SpectraBase Compound ID 8elmF5FxMvE
InChI InChI=1S/C14H18Cl2N2O/c1-18(13-5-3-2-4-12(13)17)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13H,2-5,17H2,1H3/t12-,13-/m1/s1
InChIKey PLSITOMJRRPKDL-CHWSQXEVSA-N
Mol Weight 301.22 g/mol
Molecular Formula C14H18Cl2N2O
Exact Mass 300.079619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 461NkfK4qUx
Name N,N-didesmethyl U-47700
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18Cl2N2O
InChI InChI=1S/C14H18Cl2N2O/c1-18(13-5-3-2-4-12(13)17)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13H,2-5,17H2,1H3/t12-,13-/m1/s1
InChIKey PLSITOMJRRPKDL-CHWSQXEVSA-N
Molecular Weight 301.217 g/mol
SMILES N[C@]1([C@](N(C(c2ccc(c(c2)Cl)Cl)=O)C)(CCCC1)[H])[H]
SPLASH splash10-0002-9510000000-c8c527adb29029cc5745
Source of Spectrum SWG-33-4842-0
Synonyms nor-U-47700 N,N-didesethyl U-49900 N-((1R,2R)-2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
Wiley ID 1811431