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Iprovalicarb isomer II
SpectraBase Compound ID 1MuCBw5EpcY
InChI InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1
InChIKey NWUWYYSKZYIQAE-WMCAAGNKSA-N
Mol Weight 320.43 g/mol
Molecular Formula C18H28N2O3
Exact Mass 320.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gI65n1fMFc
Name Iprovalicarb isomer I
Source of Sample Sigma-Aldrich Cat. #33431
CAS Registry Number 140923-17-7
Classification Pesticides: Fungicides
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 320.209992767 u
Formula C18H28N2O3
InChI InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1
InChIKey NWUWYYSKZYIQAE-WMCAAGNKSA-N
Molecular Weight 320.433 g/mol
Number of Peaks 157
RI1 2190
SMILES N(C(=O)OC(C)C)[C@](C(=O)NC(c1ccc(C)cc1)C)(C(C)C)[H]
SPLASH splash10-01c0-4900000000-f9f62650aecb17ec0870
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 Carbamic acid, N-[(1S)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]-, 1-methylethyl ester
Wiley ID LM_PEST_192