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2-[(Trifluoromethanesulfonyl)oxy]-5,11-trans-diethyl-5,6,11,12-tetrahydrocyrysene
SpectraBase Compound ID 6KX4fdMV1q1
InChI InChI=1S/C23H23F3O3S/c1-3-14-11-16-7-5-6-8-19(16)21-15(4-2)12-17-13-18(9-10-20(17)22(14)21)29-30(27,28)23(24,25)26/h5-10,13-15H,3-4,11-12H2,1-2H3
InChIKey LTDJQSWUIWMXIJ-UHFFFAOYSA-N
Mol Weight 436.49 g/mol
Molecular Formula C23H23F3O3S
Exact Mass 436.132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzL8t2hhXrY
Name 2-[(Trifluoromethanesulfonyl)oxy]-5,11-trans-diethyl-5,6,11,12-tetrahydrocyrysene
Alternate Name(s) 5,11-diethyl-5,6,11,12-tetrahydro-2-chrysenyl trifluoromethanesulfonate
CAS Registry Number 138090-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23F3O3S
InChI InChI=1S/C23H23F3O3S/c1-3-14-11-16-7-5-6-8-19(16)21-15(4-2)12-17-13-18(9-10-20(17)22(14)21)29-30(27,28)23(24,25)26/h5-10,13-15H,3-4,11-12H2,1-2H3
InChIKey LTDJQSWUIWMXIJ-UHFFFAOYSA-N
Molecular Weight 436.489 g/mol
SMILES C(S(Oc1cc2CC(CC)C3=C(c2cc1)C(Cc1ccccc31)CC)(=O)=O)(F)(F)F
SPLASH splash10-0zg0-0005900000-74589174f9a2ea2cbf32
Source of Spectrum J-57-1270-18
Wiley ID 1383459