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2-(N',N'-Diethylcarboxamido)phenanthren-9-yl trifluoromethanesulfonate
SpectraBase Compound ID FpNxXeBm7vt
InChI InChI=1S/C20H18F3NO4S/c1-3-24(4-2)19(25)13-9-10-15-14(11-13)12-18(17-8-6-5-7-16(15)17)28-29(26,27)20(21,22)23/h5-12H,3-4H2,1-2H3
InChIKey VTNDGMSLSGUNLK-UHFFFAOYSA-N
Mol Weight 425.42 g/mol
Molecular Formula C20H18F3NO4S
Exact Mass 425.090864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5m4SaQuq8CU
Name 2-(N',N'-Diethylcarboxamido)phenanthren-9-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F3NO4S
InChI InChI=1S/C20H18F3NO4S/c1-3-24(4-2)19(25)13-9-10-15-14(11-13)12-18(17-8-6-5-7-16(15)17)28-29(26,27)20(21,22)23/h5-12H,3-4H2,1-2H3
InChIKey VTNDGMSLSGUNLK-UHFFFAOYSA-N
Molecular Weight 425.422 g/mol
SMILES C(S(Oc1c2c(cccc2)c2c(c1)cc(C(N(CC)CC)=O)cc2)(=O)=O)(F)(F)F
SPLASH splash10-01bc-6292100000-b7a54b9e06c14471922d
Source of Spectrum I-78-916-18
Wiley ID 812734