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3-(1-Cyano-8-trifluoromethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)propionic acid ethyl ester
SpectraBase Compound ID 9z36KP70dLo
InChI InChI=1S/C18H17F3N2O3/c1-2-25-14(24)6-8-17(10-22)16-12(7-9-26-17)11-4-3-5-13(15(11)23-16)18(19,20)21/h3-5,23H,2,6-9H2,1H3
InChIKey RHSFOYILEDBJSG-UHFFFAOYSA-N
Mol Weight 366.34 g/mol
Molecular Formula C18H17F3N2O3
Exact Mass 366.119127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LOBdlNUi6h
Name 3-(1-Cyano-8-trifluoromethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)propionic acid ethyl ester
Alternate Name(s) Ethyl 3-[1-cyano-8-(trifluoromethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F3N2O3
InChI InChI=1S/C18H17F3N2O3/c1-2-25-14(24)6-8-17(10-22)16-12(7-9-26-17)11-4-3-5-13(15(11)23-16)18(19,20)21/h3-5,23H,2,6-9H2,1H3
InChIKey RHSFOYILEDBJSG-UHFFFAOYSA-N
Molecular Weight 366.340 g/mol
SMILES [nH]1c2c(cccc2c2c1C(OCC2)(CCC(=O)OCC)C#N)C(F)(F)F
SPLASH splash10-014i-0094000000-d1e8cc765bf5affbd538
Source of Spectrum O1-60-1105-40
Wiley ID 1592042