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5,11-trans-Diethyl-2-[(trifluoromethanesulfonyl)oxy]-8-methoxy-5,6,11,12-tetrahydrocyrysene
SpectraBase Compound ID BrlGUwCKe4R
InChI InChI=1S/C24H25F3O4S/c1-4-14-10-16-12-18(30-3)6-8-20(16)22-15(5-2)11-17-13-19(7-9-21(17)23(14)22)31-32(28,29)24(25,26)27/h6-9,12-15H,4-5,10-11H2,1-3H3
InChIKey GBRGDEBFVCTLNP-UHFFFAOYSA-N
Mol Weight 466.52 g/mol
Molecular Formula C24H25F3O4S
Exact Mass 466.142565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8TZTzFqz10
Name 5,11-trans-Diethyl-2-[(trifluoromethanesulfonyl)oxy]-8-methoxy-5,6,11,12-tetrahydrocyrysene
Alternate Name(s) 5,11-diethyl-8-methoxy-5,6,11,12-tetrahydro-2-chrysenyl trifluoromethanesulfonate
CAS Registry Number 138090-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25F3O4S
InChI InChI=1S/C24H25F3O4S/c1-4-14-10-16-12-18(30-3)6-8-20(16)22-15(5-2)11-17-13-19(7-9-21(17)23(14)22)31-32(28,29)24(25,26)27/h6-9,12-15H,4-5,10-11H2,1-3H3
InChIKey GBRGDEBFVCTLNP-UHFFFAOYSA-N
Molecular Weight 466.515 g/mol
SMILES C(S(Oc1cc2CC(CC)C3=C(c2cc1)C(Cc1cc(OC)ccc31)CC)(=O)=O)(F)(F)F
SPLASH splash10-00lr-0009700000-6a354437dd4f69c8cd44
Source of Spectrum J-57-1269-11
Wiley ID 1391913