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Sulfoximine, N-(2-ethoxy-1-methyl-2-oxoethyl)-S-[2-(2-methoxyethoxy)phenyl]-S-(4-methylphenyl)-, [S-(R*,S*)]-
SpectraBase Compound ID HiSr0V890iz
InChI InChI=1S/C21H27NO5S/c1-5-26-21(23)17(3)22-28(24,18-12-10-16(2)11-13-18)20-9-7-6-8-19(20)27-15-14-25-4/h6-13,17H,5,14-15H2,1-4H3/t17-,28+/m1/s1
InChIKey WNHWUFIKKMZVBE-UULLZXFKSA-N
Mol Weight 405.51 g/mol
Molecular Formula C21H27NO5S
Exact Mass 405.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fenZRoz4Cc
Name Sulfoximine, N-(2-ethoxy-1-methyl-2-oxoethyl)-S-[2-(2-methoxyethoxy)phenyl]-S-(4-methylphenyl)-, [S-(R*,S*)]-
Alternate Name(s) Ethyl (2R)-2-{[[2-(2-methoxyethoxy)phenyl](4-methylphenyl)oxido-lambda(4)-sulfanylidene]amino}propanoate [r(c),S(S)]-(+)-N-(1-ethoxycarbonyl)ethyl-S-O-(2-methoxyethoxy)phenyl-S-p-tolylsulfoximine
CAS Registry Number 109417-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO5S
InChI InChI=1S/C21H27NO5S/c1-5-26-21(23)17(3)22-28(24,18-12-10-16(2)11-13-18)20-9-7-6-8-19(20)27-15-14-25-4/h6-13,17H,5,14-15H2,1-4H3/t17-,28+/m1/s1
InChIKey WNHWUFIKKMZVBE-UULLZXFKSA-N
Molecular Weight 405.509 g/mol
SMILES [C@@](N=[S@@](c1c(OCCOC)cccc1)(c1ccc(cc1)C)=O)(C(=O)OCC)(C)[H]
SPLASH splash10-001i-0119000000-680cf8deddea6b5f3a8c
Source of Spectrum B-39-1839-21
Wiley ID 1371723