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12-Aza-7-[2-(benzyloxy)ethoxy]benzo[g]-2-[(trifluoromthanesulfonyl)oxy]-13,14-dihydrochrysene
SpectraBase Compound ID 3fYrRDE7dtd
InChI InChI=1S/C31H24F3NO5S/c32-31(33,34)41(36,37)40-23-8-11-26-25-10-7-22(39-15-14-38-19-20-4-2-1-3-5-20)16-28(25)27-9-6-21-18-35-13-12-24(21)30(27)29(26)17-23/h1-11,16-18H,12-15,19H2
InChIKey YIMJDUOBMVJPSF-UHFFFAOYSA-N
Mol Weight 579.59 g/mol
Molecular Formula C31H24F3NO5S
Exact Mass 579.132729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA8SN1kKLrl
Name 12-Aza-7-[2-(benzyloxy)ethoxy]benzo[g]-2-[(trifluoromthanesulfonyl)oxy]-13,14-dihydrochrysene
Alternate Name(s) 7-[2-(benzyloxy)ethoxy]-13,14-dihydrophenanthro[9,10-f]isoquinolin-2-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24F3NO5S
InChI InChI=1S/C31H24F3NO5S/c32-31(33,34)41(36,37)40-23-8-11-26-25-10-7-22(39-15-14-38-19-20-4-2-1-3-5-20)16-28(25)27-9-6-21-18-35-13-12-24(21)30(27)29(26)17-23/h1-11,16-18H,12-15,19H2
InChIKey YIMJDUOBMVJPSF-UHFFFAOYSA-N
Molecular Weight 579.590 g/mol
SMILES C(S(Oc1cc2c3c(ccc4c3CCN=C4)c3c(c2cc1)ccc(OCCOCc1ccccc1)c3)(=O)=O)(F)(F)F
SPLASH splash10-00ng-7130890000-87c5da859c60ba332cf9
Source of Spectrum J-62-1056-44
Wiley ID 1408428