| SpectraBase Spectrum ID |
F30k1tlNT5S |
| Name |
Dinocap isomer III |
| Source of Sample |
Sigma-Aldrich Cat. #45452 |
| CAS Registry Number |
18994-41-7 |
| Classification |
Pesticides: Acaricides |
| 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 |
364.163436495 u |
| Formula |
C18H24N2O6 |
| InChI |
InChI=1S/C18H24N2O6/c1-4-7-10-13(8-5-2)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-6-3/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+ |
| InChIKey |
XDKCUKXYCDHHCI-RMKNXTFCSA-N |
| Molecular Weight |
364.398 g/mol |
| Number of Peaks |
47 |
| RI1 |
2476 |
| SMILES |
C(\C=C\C)(=O)Oc1c(cc(cc1N(=O)=O)N(=O)=O)C(CCCC)CCC |
| SPLASH |
splash10-014i-9000000000-fee27a6c9d1365c2d190 |
| 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, 4,6-dinitro-2-(1-propylpentyl)phenyl ester |
| Wiley ID |
LM_PEST_887 |
