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[2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,3-pentafluoropropanoate
SpectraBase Compound ID 9YJraPljfDd
InChI InChI=1S/C34H47F5O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-32(6)21-19-26-25(5)29(41-31(40)33(35,36)34(37,38)39)27-17-7-8-18-28(27)30(26)42-32/h7-8,17-18,22-24H,9-16,19-21H2,1-6H3/t23-,24-,32?/m1/s1
InChIKey MEGVLUSIMZVOBM-LWGBZURQSA-N
Mol Weight 598.7 g/mol
Molecular Formula C34H47F5O3
Exact Mass 598.344536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76SXQB1pIw4
Name [2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,3-pentafluoropropanoate
Alternate Name(s) 2,5-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-benzo[h]chromen-6-yl 2,2,3,3,3-pentafluoropropanoate
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Formula C34H47F5O3
InChI InChI=1S/C34H47F5O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-32(6)21-19-26-25(5)29(41-31(40)33(35,36)34(37,38)39)27-17-7-8-18-28(27)30(26)42-32/h7-8,17-18,22-24H,9-16,19-21H2,1-6H3/t23-,24-,32?/m1/s1
InChIKey MEGVLUSIMZVOBM-LWGBZURQSA-N
Molecular Weight 598.739 g/mol
SMILES c1cc2c(cc1)c1c(c(c2OC(=O)C(C(F)(F)F)(F)F)C)CCC(O1)(C)CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H]
SPLASH splash10-000t-0007090000-e0fcb9f7fd422b09d39a
Source of Spectrum RCM-20-1897-Fig6a
Wiley ID 1820328