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2-[(trifluoromethyl)seleno]acetic acid 4-phenylbenzyl ester
SpectraBase Compound ID fjhcPsdtbi
InChI InChI=1S/C16H13F3O2Se/c17-16(18,19)22-11-15(20)21-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey RNQZGVUTNQGWTA-UHFFFAOYSA-N
Mol Weight 373.25 g/mol
Molecular Formula C16H13F3O2Se
Exact Mass 374.003286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgUJifSZkKD
Name 2-[(trifluoromethyl)seleno]acetic acid 4-phenylbenzyl ester
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.003286146 u
Formula C16H13F3O2Se
InChI InChI=1S/C16H13F3O2Se/c17-16(18,19)22-11-15(20)21-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey RNQZGVUTNQGWTA-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 373.245 g/mol
Quality 19
Reported Formula C16H13F3O2Se
SMILES C([Se]CC(OCC1=CC=C(C=C1)C1=CC=CC=C1)=O)(F)(F)F
SPLASH splash10-0gc0-0900000000-aa58a041df5668d7898c
Source of Spectrum QE-22-SM31-3z (DOI: 10.1002/chem.201602730)
Wiley ID 1905026