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(3S)-3-[(E)-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]iminomethyl]-3-(methylthio)pentanoic acid methyl ester
SpectraBase Compound ID 9hbxCSbz1vh
InChI InChI=1S/C14H26N2O3S/c1-5-14(20-4,9-13(17)19-3)11-15-16-8-6-7-12(16)10-18-2/h11-12H,5-10H2,1-4H3/b15-11+/t12-,14-/m0/s1
InChIKey PKBITWWMCDQANB-LOFVZMDWSA-N
Mol Weight 302.43 g/mol
Molecular Formula C14H26N2O3S
Exact Mass 302.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cGNxoyoeey
Name (3S)-3-[(E)-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]iminomethyl]-3-(methylthio)pentanoic acid methyl ester
Alternate Name(s) (3S)-3-[(E)-[(2S)-2-(methoxymethyl)pyrrolidino]iminomethyl]-3-(methylthio)valeric acid methyl ester Methyl (3S)-3-[(E)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminomethyl]-3-methylsulfanyl-pentanoate
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Formula C14H26N2O3S
InChI InChI=1S/C14H26N2O3S/c1-5-14(20-4,9-13(17)19-3)11-15-16-8-6-7-12(16)10-18-2/h11-12H,5-10H2,1-4H3/b15-11+/t12-,14-/m0/s1
InChIKey PKBITWWMCDQANB-LOFVZMDWSA-N
Molecular Weight 302.433 g/mol
SMILES [C@](\C=N\N1[C@](COC)(CCC1)[H])(CC(=O)OC)(SC)CC
SPLASH splash10-0a4i-3190000000-b55ab65fa7e1740afa9d
Source of Spectrum K-127-1715-11
Wiley ID 1304374