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

*Links on SpectraBase are not permalinks.
(E)-Methyl 2-(3-chloro-4-(3,3-diisopropyltriaz-1-en-1-yl)phenyl)-2,3,3,3-tetrafluoropropanoate
SpectraBase Compound ID BKRS1pS3Q2w
InChI InChI=1S/C16H20ClF4N3O2/c1-9(2)24(10(3)4)23-22-13-7-6-11(8-12(13)17)15(18,14(25)26-5)16(19,20)21/h6-10H,1-5H3/b23-22+
InChIKey QEKIOQYUVNPUIU-GHVJWSGMSA-N
Mol Weight 397.8 g/mol
Molecular Formula C16H20ClF4N3O2
Exact Mass 397.118017 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 IivrjAmgYMZ
Name (E)-Methyl 2-(3-chloro-4-(3,3-diisopropyltriaz-1-en-1-yl)phenyl)-2,3,3,3-tetrafluoropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClF4N3O2
InChI InChI=1S/C16H20ClF4N3O2/c1-9(2)24(10(3)4)23-22-13-7-6-11(8-12(13)17)15(18,14(25)26-5)16(19,20)21/h6-10H,1-5H3/b23-22+
InChIKey QEKIOQYUVNPUIU-GHVJWSGMSA-N
Literature Reference DOI 10.1021/ol401558z
Molecular Weight 397.802 g/mol
SMILES C(F)(c1cc(c(cc1)\N=N\N(C(C)C)C(C)C)Cl)(C(F)(F)F)C(=O)OC
SPLASH splash10-0uxr-0963000000-8ce693c516c7902a1154
Source of Spectrum A1-15-3468/SMS4-2h
Wiley ID 1748897