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(4-allyloxy-5-methoxy-2-nitro-phenyl)-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone
SpectraBase Compound ID JEToyhKoGdr
InChI InChI=1S/C20H28N2O5S2/c1-5-11-27-18-13-16(22(24)25)14(12-17(18)26-4)19(23)21-10-8-9-15(21)20(28-6-2)29-7-3/h5,12-13,15,20H,1,6-11H2,2-4H3/t15-/m0/s1
InChIKey ACTPRZJEFZHQFT-HNNXBMFYSA-N
Mol Weight 440.57 g/mol
Molecular Formula C20H28N2O5S2
Exact Mass 440.143964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6YVIPjn1E2
Name (4-allyloxy-5-methoxy-2-nitro-phenyl)-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone
Alternate Name(s) (4-allyloxy-5-methoxy-2-nitro-phenyl)-[(2S)-2-[bis(ethylthio)methyl]pyrrolidino]methanone [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-prop-2-enoxy-phenyl)methanone [(2S)-2-[bis(ethylthio)methyl]-1-pyrrolidinyl]-(5-methoxy-2-nitro-4-prop-2-enoxyphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O5S2
InChI InChI=1S/C20H28N2O5S2/c1-5-11-27-18-13-16(22(24)25)14(12-17(18)26-4)19(23)21-10-8-9-15(21)20(28-6-2)29-7-3/h5,12-13,15,20H,1,6-11H2,2-4H3/t15-/m0/s1
InChIKey ACTPRZJEFZHQFT-HNNXBMFYSA-N
Molecular Weight 440.573 g/mol
SMILES c1(C(N2[C@](C(SCC)SCC)(CCC2)[H])=O)c(N(=O)=O)cc(c(c1)OC)OCC=C
SPLASH splash10-000i-0494100000-28d47f0e41190ce69daf
Source of Spectrum F2-42-4036-14
Wiley ID 1600445