| SpectraBase Spectrum ID |
9mdaSWakxS9 |
| Name |
2-(2,3,4-trinitro-1-pyrrolyl)benzoic acid methyl ester |
| Alternate Name(s) |
2-(2,3,4-trinitropyrrol-1-yl)benzoic acid methyl ester
methyl 2-(2,3,4-trinitropyrrol-1-yl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H8N4O8 |
| InChI |
InChI=1S/C12H8N4O8/c1-24-12(17)7-4-2-3-5-8(7)13-6-9(14(18)19)10(15(20)21)11(13)16(22)23/h2-6H,1H3 |
| InChIKey |
FNMYCLLVIIWSLR-UHFFFAOYSA-N |
| Molecular Weight |
336.216 g/mol |
| SMILES |
c1(c(c(N(=O)=O)c[n]1-c1c(C(=O)OC)cccc1)N(=O)=O)N(=O)=O |
| SPLASH |
splash10-0006-0090000000-075061f0fd736a98822a |
| Source of Spectrum |
Y-33-613-12 |
| Wiley ID |
1331995 |
