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Benzenepropanoic acid, .beta.-[[(4-chloro-2-methoxyphenyl)sulfonyl]amino]-3-nitro-, ethyl ester
SpectraBase Compound ID FqweB1MJnoZ
InChI InChI=1S/C18H19ClN2O7S/c1-3-28-18(22)11-15(12-5-4-6-14(9-12)21(23)24)20-29(25,26)17-8-7-13(19)10-16(17)27-2/h4-10,15,20H,3,11H2,1-2H3
InChIKey SVBHFXUDCBAVII-UHFFFAOYSA-N
Mol Weight 442.87 g/mol
Molecular Formula C18H19ClN2O7S
Exact Mass 442.06015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVN8y2NK2of
Name Benzenepropanoic acid, .beta.-[[(4-chloro-2-methoxyphenyl)sulfonyl]amino]-3-nitro-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClN2O7S
InChI InChI=1S/C18H19ClN2O7S/c1-3-28-18(22)11-15(12-5-4-6-14(9-12)21(23)24)20-29(25,26)17-8-7-13(19)10-16(17)27-2/h4-10,15,20H,3,11H2,1-2H3
InChIKey SVBHFXUDCBAVII-UHFFFAOYSA-N
Molecular Weight 442.870 g/mol
SMILES N(C(c1cccc(N(=O)=O)c1)CC(OCC)=O)S(=O)(=O)c1c(cc(cc1)Cl)OC
SPLASH splash10-052r-3791000000-0aac1c2c50b0e8937f80
Source of Spectrum IY-1-4627-2
Wiley ID 1654255