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5'-Benzyloxy-3'-bromo-2'-methoxy-.alpha.'-methylbenzyl 2,2,2-trichloroethanimidate
SpectraBase Compound ID 8IkzWAatnuE
InChI InChI=1S/C18H17BrCl3NO3/c1-11(26-17(23)18(20,21)22)14-8-13(9-15(19)16(14)24-2)25-10-12-6-4-3-5-7-12/h3-9,11,23H,10H2,1-2H3
InChIKey ISPUMFJCQINDFE-UHFFFAOYSA-N
Mol Weight 481.6 g/mol
Molecular Formula C18H17BrCl3NO3
Exact Mass 478.94574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQ9zmZ31uVB
Name 5'-Benzyloxy-3'-bromo-2'-methoxy-.alpha.'-methylbenzyl 2,2,2-trichloroethanimidate
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.945739508 u
Formula C18H17BrCl3NO3
InChI InChI=1S/C18H17BrCl3NO3/c1-11(26-17(23)18(20,21)22)14-8-13(9-15(19)16(14)24-2)25-10-12-6-4-3-5-7-12/h3-9,11,23H,10H2,1-2H3
InChIKey ISPUMFJCQINDFE-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5986
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.911
Molecular Weight 481.601 g/mol
Quality 84
SMILES N=C(OC(C=1C(=C(C=C(C1)OCC1=CC=CC=C1)Br)OC)C)C(Cl)(Cl)Cl
SPLASH splash10-0006-9001000000-3415ed3019da6ff4334f
Source of Spectrum ARK-2002-109-19 (DOI: 10.3998/ark.5550190.0003.911)
Wiley ID 1904835