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Ethyl (2E,4E)-3-(trifluoromethyl)-trideca-2,4-dien-6-yn-1-oate
SpectraBase Compound ID 1TxwFq4SR9m
InChI InChI=1S/C16H21F3O2/c1-3-5-6-7-8-9-10-11-12-14(16(17,18)19)13-15(20)21-4-2/h11-13H,3-8H2,1-2H3/b12-11+,14-13+
InChIKey RPCHALKIRIJMOX-LDHFCIDVSA-N
Mol Weight 302.34 g/mol
Molecular Formula C16H21F3O2
Exact Mass 302.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QJv54lZpo
Name Ethyl (2E,4E)-3-(trifluoromethyl)-trideca-2,4-dien-6-yn-1-oate
Alternate Name(s) Ethyl (2E,4E)-3-(trifluoromethyl)-2,4-tridecadien-6-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21F3O2
InChI InChI=1S/C16H21F3O2/c1-3-5-6-7-8-9-10-11-12-14(16(17,18)19)13-15(20)21-4-2/h11-13H,3-8H2,1-2H3/b12-11+,14-13+
InChIKey RPCHALKIRIJMOX-LDHFCIDVSA-N
Molecular Weight 302.337 g/mol
SMILES C(\C=C/(\C=C\C#CCCCCCC)C(F)(F)F)(=O)OCC
SPLASH splash10-0006-9000000000-412c538a11b01416bebb
Source of Spectrum C4-27-439-9
Wiley ID 1612580