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Cinmethylin
SpectraBase Compound ID Df4HNuWlQZk
InChI InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1
InChIKey QMTNOLKHSWIQBE-FGTMMUONSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7pUr0adRAo
Name Cinmethylin
Source of Sample Sigma-Aldrich Cat. #34237
CAS Registry Number 87818-31-3
Classification Pesticides: Herbicides
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Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1
InChIKey QMTNOLKHSWIQBE-FGTMMUONSA-N
Number of Peaks 49
RI1 1906
SMILES [C@]12(O[C@]([C@@](C2)(OCc2c(cccc2)C)[H])(CC1)C)C(C)C
SPLASH splash10-0a4l-6900000000-5dae43c9e5b40993ad7a
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-
Wiley ID LM_PEST_638