| SpectraBase Spectrum ID |
KrgqWbknCG6 |
| Name |
Rotenone (7CI) |
| Source of Sample |
Sigma-Aldrich Cat. #45656 |
| CAS Registry Number |
83-79-4 |
| Classification |
Pesticides: Insecticides |
| 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 |
394.141638422 u |
| Formula |
C23H22O6 |
| InChI |
InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 |
| InChIKey |
JUVIOZPCNVVQFO-HBGVWJBISA-N |
| Molecular Weight |
394.423 g/mol |
| Number of Peaks |
49 |
| RI1 |
3326 |
| SMILES |
COc1cc2c(cc1OC)OC[C@@]1([C@]2(C(c2c(O1)c1c(cc2)O[C@](C1)(C(C)=C)[H])=O)[H])[H] |
| SPLASH |
splash10-0006-1901000000-f1b5c027cb9ef9f1d9d4 |
| 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]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)- |
| Wiley ID |
LM_PEST_872 |
