| SpectraBase Spectrum ID |
ErMCMKEKIj2 |
| Name |
Binapacryl |
| Source of Sample |
Sigma-Aldrich Cat. #31301 |
| CAS Registry Number |
485-31-4 |
| Classification |
Pesticides: Herbicides |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
322.116486302 u |
| Formula |
C15H18N2O6 |
| InChI |
InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3 |
| InChIKey |
ZRDUSMYWDRPZRM-UHFFFAOYSA-N |
| Molecular Weight |
322.317 g/mol |
| Number of Peaks |
184 |
| RI1 |
2219 |
| SMILES |
c1(cc(c(c(c1)C(C)CC)OC(=O)C=C(C)C)N(=O)=O)N(=O)=O |
| SPLASH |
splash10-001i-9000000000-f15d929a6468558d1755 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2-Butenoic acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester |
| Wiley ID |
LM_PEST_750 |
