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2-[(4-Chloro-2,5-dimethoxyphenyl)imino]-4-methylene-3-thia-1-azaspiro-[4.5]decane
SpectraBase Compound ID KZeBEw366Kj
InChI InChI=1S/C17H21ClN2O2S/c1-11-17(7-5-4-6-8-17)20-16(23-11)19-13-10-14(21-2)12(18)9-15(13)22-3/h9-10H,1,4-8H2,2-3H3,(H,19,20)
InChIKey GMTJOYJAVFWCLL-UHFFFAOYSA-N
Mol Weight 352.88 g/mol
Molecular Formula C17H21ClN2O2S
Exact Mass 352.101227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2QFDfeoytz
Name 2-[(4-Chloro-2,5-dimethoxyphenyl)imino]-4-methylene-3-thia-1-azaspiro-[4.5]decane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.101226796 u
Formula C17H21ClN2O2S
InChI InChI=1S/C17H21ClN2O2S/c1-11-17(7-5-4-6-8-17)20-16(23-11)19-13-10-14(21-2)12(18)9-15(13)22-3/h9-10H,1,4-8H2,2-3H3,(H,19,20)
InChIKey GMTJOYJAVFWCLL-UHFFFAOYSA-N
Molecular Weight 352.880 g/mol
SMILES N1\C(SC(C11CCCCC1)=C)=N\C1=C(C=C(C(=C1)OC)Cl)OC