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(2S)-Ruspolinone
SpectraBase Compound ID GEuswCdcJ31
InChI InChI=1S/C14H19NO3/c1-17-13-6-5-10(8-14(13)18-2)12(16)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKey TYXKSMFICLVQCO-NSHDSACASA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65Zir0rW5eJ
Name (2S)-Ruspolinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-17-13-6-5-10(8-14(13)18-2)12(16)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKey TYXKSMFICLVQCO-NSHDSACASA-N
Molecular Weight 249.310 g/mol
SMILES N1CCC[C@]1(CC(c1cc(OC)c(cc1)OC)=O)[H]
SPLASH splash10-01c0-4900000000-4f074f9f04189be417fb
Source of Spectrum F-47-7184-1
Synonyms 1-(3,4-dimethoxyphenyl)-2-[(2S)-pyrrolidinyl]ethanone
Wiley ID 1252257