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3-(N',N'-Diethylcarboxamido)phenanthren-9-yl trifluoromethanesulfonate
SpectraBase Compound ID 2Bycj3rKvcS
InChI InChI=1S/C20H18F3NO4S/c1-3-24(4-2)19(25)14-10-9-13-12-18(28-29(26,27)20(21,22)23)16-8-6-5-7-15(16)17(13)11-14/h5-12H,3-4H2,1-2H3
InChIKey XYLODFRVJLKDMP-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 Dnn7mAnqHSQ
Name 3-(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)14-10-9-13-12-18(28-29(26,27)20(21,22)23)16-8-6-5-7-15(16)17(13)11-14/h5-12H,3-4H2,1-2H3
InChIKey XYLODFRVJLKDMP-UHFFFAOYSA-N
Molecular Weight 425.422 g/mol
SMILES C(S(Oc1c2c(cccc2)c2c(c1)ccc(C(N(CC)CC)=O)c2)(=O)=O)(F)(F)F
SPLASH splash10-022c-0973600000-ad62fc119c8e6376c75f
Source of Spectrum I-78-916-18
Wiley ID 812733