| SpectraBase Spectrum ID |
LE7lycuoJ8k |
| Name |
Hexachloro-1,3-butadiene |
| Source of Sample |
Sigma-Aldrich Cat. #45525 |
| CAS Registry Number |
87-68-3 |
| 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 |
257.813116200 u |
| Formula |
C4Cl6 |
| InChI |
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10 |
| InChIKey |
RWNKSTSCBHKHTB-UHFFFAOYSA-N |
| Molecular Weight |
260.762 g/mol |
| Number of Peaks |
48 |
| RI1 |
1213 |
| SMILES |
C(=C(C(=C(Cl)Cl)Cl)Cl)(Cl)Cl |
| SPLASH |
splash10-01tc-2690000000-fd3829dab9ad7522bd47 |
| 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 |
1,3-Butadiene, 1,1,2,3,4,4-hexachloro- |
| Wiley ID |
LM_PEST_190 |
