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Terbutol
SpectraBase Compound ID 4njgnCmlLZk
InChI InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
InChIKey PNRAZZZISDRWMV-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2vCl6u57Z4
Name Terbutol
Source of Sample Sigma-Aldrich Cat. #N13513
CAS Registry Number 1918-11-2
Classification Pesticides: Herbicides
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 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
InChIKey PNRAZZZISDRWMV-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
Number of Peaks 176
RI1 1871
SMILES N(C(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C
SPLASH splash10-0a4i-3490000000-394cf252144dfb11e791
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 Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, 1-(N-methylcarbamate)
Wiley ID LM_PEST_535