| SpectraBase Spectrum ID |
4gVLZHf2M4l |
| Name |
2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid methyl ester |
| Alternate Name(s) |
2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propionic acid methyl ester
methyl 2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11F3N2O4 |
| InChI |
InChI=1S/C13H11F3N2O4/c1-22-12(19)10(18(20)21)6-8-7-4-2-3-5-9(7)17-11(8)13(14,15)16/h2-5,10,17H,6H2,1H3 |
| InChIKey |
WYAOSUGMSDIOSF-UHFFFAOYSA-N |
| Molecular Weight |
316.236 g/mol |
| SMILES |
[nH]1c2ccccc2c(c1C(F)(F)F)CC(C(=O)OC)N(=O)=O |
| SPLASH |
splash10-014i-0029000000-5f0ad2647051774b6b15 |
| Source of Spectrum |
E1-45-934-11 |
| Wiley ID |
1553972 |
