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1-[(2-Methylthio)-4-octenoyl]pyrrolidine
SpectraBase Compound ID 8eaSAqIYHh5
InChI InChI=1S/C13H23NOS/c1-3-4-5-6-9-12(16-2)13(15)14-10-7-8-11-14/h5-6,12H,3-4,7-11H2,1-2H3/b6-5+
InChIKey SAIIWUPXZHCIAT-AATRIKPKSA-N
Mol Weight 241.39 g/mol
Molecular Formula C13H23NOS
Exact Mass 241.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11YyCjN7om
Name 1-[(2-Methylthio)-4-octenoyl]pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NOS
InChI InChI=1S/C13H23NOS/c1-3-4-5-6-9-12(16-2)13(15)14-10-7-8-11-14/h5-6,12H,3-4,7-11H2,1-2H3/b6-5+
InChIKey SAIIWUPXZHCIAT-AATRIKPKSA-N
Molecular Weight 241.393 g/mol
SMILES C(N1CCCC1)(=O)C(SC)C\C=C\CCC
SPLASH splash10-052f-9200000000-0b83bcd3aeddab5421c8
Source of Spectrum QA-45-626-3
Synonyms 1-[(4E)-2-(methylsulfanyl)-4-octenoyl]pyrrolidine Methyl (3E)-1-(1-pyrrolidinylcarbonyl)-3-heptenyl sulfide
Wiley ID 862921