For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Paclobutrazol
SpectraBase Compound ID Add5xZTluOc
InChI InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m1/s1
InChIKey RMOGWMIKYWRTKW-KGLIPLIRSA-N
Mol Weight 293.8 g/mol
Molecular Formula C15H20ClN3O
Exact Mass 293.12949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1jTFr1fG1Hg
Name Paclobutrazol
Source of Sample Sigma-Aldrich Cat. #46046
CAS Registry Number 76738-62-0
Classification Pesticides: Plant growth regulators
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 293.129489975 u
Formula C15H20ClN3O
InChI InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m1/s1
InChIKey RMOGWMIKYWRTKW-KGLIPLIRSA-N
Molecular Weight 293.798 g/mol
Number of Peaks 211
RI1 2111
SMILES O[C@@]([C@]([n]1ncnc1)(Cc1ccc(cc1)Cl)[H])(C(C)(C)C)[H]
SPLASH splash10-002r-6950000000-c3160a7afa8d58e230b7
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 1H-1,2,4-Triazole-1-ethanol, beta-[(4-chlorophenyl)methyl]-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-
Wiley ID LM_PEST_488