| SpectraBase Spectrum ID |
D9x8T9RHpL3 |
| Name |
Dinocap isomer I |
| Source of Sample |
Sigma-Aldrich Cat. #45452 |
| CAS Registry Number |
6903-25-9 |
| Classification |
Pesticides: Fungicides |
| 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)14-11-15(19(22)23)18(16(12-14)20(24)25)26-17(21)9-6-3/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+ |
| InChIKey |
VHOUAPYAWBBKTF-RMKNXTFCSA-N |
| Molecular Weight |
364.398 g/mol |
| Number of Peaks |
48 |
| RI1 |
2415 |
| SMILES |
C(\C=C\C)(=O)Oc1c(cc(cc1N(=O)=O)C(CCCC)CCC)N(=O)=O |
| SPLASH |
splash10-014i-9000000000-872591a3bde999b868b4 |
| 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, 2,6-dinitro-4-(1-propylpentyl)phenyl ester |
| Wiley ID |
LM_PEST_885 |
