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Propargite
SpectraBase Compound ID A7zakLiSTwP
InChI InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
InChIKey ZYHMJXZULPZUED-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C19H26O4S
Exact Mass 350.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OT0pzIaNbZ
Name Propargite isomer I
Source of Sample Sigma-Aldrich Cat. #32051
CAS Registry Number 2312-35-8
Classification Pesticides: Acaricides
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 350.155180487 u
Formula C19H26O4S
InChI InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
InChIKey ZYHMJXZULPZUED-UHFFFAOYSA-N
Molecular Weight 350.473 g/mol
Number of Peaks 47
RI1 2384
SMILES C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C
SPLASH splash10-000i-6910000000-0424c4612f9263b26873
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 Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester isomer I
Wiley ID LM_PEST_288