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2-Benzoyl-5-(hept-1-ynyl)phenyl Trifluoromethanesulfonate
SpectraBase Compound ID J1vKLMsGLT
InChI InChI=1S/C21H19F3O4S/c1-2-3-4-5-7-10-16-13-14-18(20(25)17-11-8-6-9-12-17)19(15-16)28-29(26,27)21(22,23)24/h6,8-9,11-15H,2-5H2,1H3
InChIKey DGZRZTDNQOICJR-UHFFFAOYSA-N
Mol Weight 424.43 g/mol
Molecular Formula C21H19F3O4S
Exact Mass 424.095615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3w0n933NDk
Name 2-Benzoyl-5-(hept-1-ynyl)phenyl Trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F3O4S
InChI InChI=1S/C21H19F3O4S/c1-2-3-4-5-7-10-16-13-14-18(20(25)17-11-8-6-9-12-17)19(15-16)28-29(26,27)21(22,23)24/h6,8-9,11-15H,2-5H2,1H3
InChIKey DGZRZTDNQOICJR-UHFFFAOYSA-N
Molecular Weight 424.434 g/mol
SMILES C(S(Oc1c(C(=O)c2ccccc2)ccc(C#CCCCCC)c1)(=O)=O)(F)(F)F
SPLASH splash10-0a4k-2990000000-71a107e5bb1cbd0d78f3
Source of Spectrum F4-44-232-14a
Wiley ID 1706756