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3-METHYL-LANTHIONINE

View entire compound with spectra: 1 NMR

3-METHYL-LANTHIONINE
SpectraBase Compound ID Fxe5C19NIYd
InChI InChI=1S/C7H14N2O4S/c1-3(5(9)7(12)13)14-2-4(8)6(10)11/h3-5H,2,8-9H2,1H3,(H,10,11)(H,12,13)/t3?,4-,5-/m0/s1
InChIKey NSGOABPZARPCFM-ZZJOKYKRSA-N
Mol Weight 222.26 g/mol
Molecular Formula C7H14N2O4S
Exact Mass 222.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKm7TIGYYU1
Name 3-METHYL-LANTHIONINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H14N2O4S
InChI InChI=1S/C7H14N2O4S/c1-3(5(9)7(12)13)14-2-4(8)6(10)11/h3-5H,2,8-9H2,1H3,(H,10,11)(H,12,13)/t3?,4-,5-/m0/s1
InChIKey NSGOABPZARPCFM-ZZJOKYKRSA-N
Literature Reference Author Y.AOYAGI,S.TAKASAKI,S.FUJIHARA,A.KASUGA,T.SUGAHARA
Literature Reference Citation PHYTOCHEM.,46,1095(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00396-8
Molecular Weight 222.259 g/mol
Sample ID 65490
Solvent D2O