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1-[(2-Methylthio)-4-heptenoyl]pyrrolidine
SpectraBase Compound ID F7CqTFYE2gp
InChI InChI=1S/C12H21NOS/c1-3-4-5-8-11(15-2)12(14)13-9-6-7-10-13/h4-5,11H,3,6-10H2,1-2H3/b5-4+
InChIKey BWFNNAKDUZOIPE-SNAWJCMRSA-N
Mol Weight 227.37 g/mol
Molecular Formula C12H21NOS
Exact Mass 227.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xKsYXVQnTE
Name 1-[(2-Methylthio)-4-heptenoyl]pyrrolidine
Alternate Name(s) 1-[(4E)-2-(methylsulfanyl)-4-heptenoyl]pyrrolidine Methyl (3E)-1-(1-pyrrolidinylcarbonyl)-3-hexenyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NOS
InChI InChI=1S/C12H21NOS/c1-3-4-5-8-11(15-2)12(14)13-9-6-7-10-13/h4-5,11H,3,6-10H2,1-2H3/b5-4+
InChIKey BWFNNAKDUZOIPE-SNAWJCMRSA-N
Molecular Weight 227.366 g/mol
SMILES C(N1CCCC1)(=O)C(SC)C\C=C\CC
SPLASH splash10-0a5c-9300000000-53ebb82ef656b3f0dbb5
Source of Spectrum QA-45-626-3
Wiley ID 862922