For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pentanoic acid, 5-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester
SpectraBase Compound ID 3hk7I0r6q5J
InChI InChI=1S/C27H37F3N2O4/c1-17-21(22-16-20(36-27(28,29)30)12-13-23(22)32-17)14-15-31-24(33)6-5-7-25(34)35-19-10-8-18(9-11-19)26(2,3)4/h12-13,16,18-19,32H,5-11,14-15H2,1-4H3,(H,31,33)
InChIKey DPNLJMJQTMZLMB-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C27H37F3N2O4
Exact Mass 510.270542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HjTVBJ9PEjg
Name Pentanoic acid, 5-[[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]amino]-5-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37F3N2O4
InChI InChI=1S/C27H37F3N2O4/c1-17-21(22-16-20(36-27(28,29)30)12-13-23(22)32-17)14-15-31-24(33)6-5-7-25(34)35-19-10-8-18(9-11-19)26(2,3)4/h12-13,16,18-19,32H,5-11,14-15H2,1-4H3,(H,31,33)
InChIKey DPNLJMJQTMZLMB-UHFFFAOYSA-N
Molecular Weight 510.598 g/mol
SMILES N(C(=O)CCCC(OC1CCC(CC1)C(C)(C)C)=O)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-0006-9580000000-05d8dafd481c80b50092
Source of Spectrum IY-1-4503-2
Synonyms 5-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-5-oxopentanoic acid (4-tert-butylcyclohexyl) ester (4-tert-butylcyclohexyl) 5-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-5-oxopentanoate (4-tert-butylcyclohexyl) 5-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-5-oxo-pentanoate (4-tert-butylcyclohexyl) 5-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]-5-oxidanylidene-pentanoate
Wiley ID 1653015