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Methyl (5S)-5-(3,4-dimethoxyphenyl)-3-oxo-5-((p-tolylsulfinyl)amino)pentanoate
SpectraBase Compound ID JeSy0p0VbVU
InChI InChI=1S/C21H25NO6S/c1-14-5-8-17(9-6-14)29(25)22-18(12-16(23)13-21(24)28-4)15-7-10-19(26-2)20(11-15)27-3/h5-11,18,22H,12-13H2,1-4H3/t18-,29?/m0/s1
InChIKey PWXHAGIAIOGNCM-STFFIMJZSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A0NkkIInrQ
Name Methyl (5S)-5-(3,4-dimethoxyphenyl)-3-oxo-5-((p-tolylsulfinyl)amino)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-14-5-8-17(9-6-14)29(25)22-18(12-16(23)13-21(24)28-4)15-7-10-19(26-2)20(11-15)27-3/h5-11,18,22H,12-13H2,1-4H3/t18-,29?/m0/s1
InChIKey PWXHAGIAIOGNCM-STFFIMJZSA-N
Molecular Weight 419.492 g/mol
SMILES N(S(c1ccc(cc1)C)=O)[C@](c1ccc(OC)c(OC)c1)(CC(CC(=O)OC)=O)[H]
SPLASH splash10-0540-0390000000-0afe1b1f4347a764a206
Source of Spectrum ACI-53-SMS-18-12
Wiley ID 1782853