| SpectraBase Spectrum ID |
1lXBjUj0gyb |
| Name |
4-{Acetyl-[(E)-1-methoxymethyl-2-(toluene-4-sulfonyl)-vinyl]-amino}-3-iodo-benzoic acid methyl ester |
| Alternate Name(s) |
2-[N-(2-Iodo-4-carboxymethoxyphenyl)acetamido]-1-tosyl-3-methoxypropene
methyl 4-(acetyl{(E)-1-(methoxymethyl)-2-[(4-methylphenyl)sulfonyl]ethenyl}amino)-3-iodobenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22INO6S |
| InChI |
InChI=1S/C21H22INO6S/c1-14-5-8-18(9-6-14)30(26,27)13-17(12-28-3)23(15(2)24)20-10-7-16(11-19(20)22)21(25)29-4/h5-11,13H,12H2,1-4H3/b17-13+ |
| InChIKey |
MFRODRDTSINCQG-GHRIWEEISA-N |
| Molecular Weight |
543.372 g/mol |
| SMILES |
c1(N(\C(=C\S(c2ccc(cc2)C)(=O)=O)COC)C(=O)C)c(cc(C(=O)OC)cc1)I |
| SPLASH |
splash10-014i-0091000000-712abd76fd4789b2c5f7 |
| Source of Spectrum |
F-68-2229-22 |
| Wiley ID |
1572004 |
![4-{Acetyl-[(E)-1-methoxymethyl-2-(toluene-4-sulfonyl)-vinyl]-amino}-3-iodo-benzoic acid methyl ester](/api/spectrum/1lXBjUj0gyb/structure.png?h=300&w=458 "4-{Acetyl-[(E)-1-methoxymethyl-2-(toluene-4-sulfonyl)-vinyl]-amino}-3-iodo-benzoic acid methyl ester")
