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Methyl 4-[Allyl[(4-methylphenyl)sulfonyl]amino]-3-(allylsulfinyl)butanoate
SpectraBase Compound ID AATHYDlShNp
InChI InChI=1S/C18H25NO5S2/c1-5-11-19(26(22,23)17-9-7-15(3)8-10-17)14-16(13-18(20)24-4)25(21)12-6-2/h5-10,16H,1-2,11-14H2,3-4H3
InChIKey DHYXXPPRHJJDPU-UHFFFAOYSA-N
Mol Weight 399.52 g/mol
Molecular Formula C18H25NO5S2
Exact Mass 399.117415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlPa9LDKo6y
Name Methyl 4-[Allyl[(4-methylphenyl)sulfonyl]amino]-3-(allylsulfinyl)butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H25NO5S2
InChI InChI=1S/C18H25NO5S2/c1-5-11-19(26(22,23)17-9-7-15(3)8-10-17)14-16(13-18(20)24-4)25(21)12-6-2/h5-10,16H,1-2,11-14H2,3-4H3
InChIKey DHYXXPPRHJJDPU-UHFFFAOYSA-N
Molecular Weight 399.520 g/mol
SMILES C(CC(CN(S(=O)(=O)c1ccc(cc1)C)CC=C)S(=O)CC=C)(=O)OC
SPLASH splash10-0ab9-0960000000-a61854c32e321969203c
Source of Spectrum F-69-2753-3
Wiley ID 1594909