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Rotenone
SpectraBase Compound ID 5VZZc2VhGTw
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
Mol Weight 394.42 g/mol
Molecular Formula C23H22O6
Exact Mass 394.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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