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(1-Chloromethyl-8-trifluoromethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid ethyl ester
SpectraBase Compound ID AfeDpzbXypr
InChI InChI=1S/C17H17ClF3NO3/c1-2-24-13(23)8-16(9-18)15-11(6-7-25-16)10-4-3-5-12(14(10)22-15)17(19,20)21/h3-5,22H,2,6-9H2,1H3
InChIKey JERJAHSGKIGESW-UHFFFAOYSA-N
Mol Weight 375.78 g/mol
Molecular Formula C17H17ClF3NO3
Exact Mass 375.084906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID epM59IEEyy
Name (1-Chloromethyl-8-trifluoromethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid ethyl ester
Alternate Name(s) Ethyl[1-(chloromethyl)-8-(trifluoromethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClF3NO3
InChI InChI=1S/C17H17ClF3NO3/c1-2-24-13(23)8-16(9-18)15-11(6-7-25-16)10-4-3-5-12(14(10)22-15)17(19,20)21/h3-5,22H,2,6-9H2,1H3
InChIKey JERJAHSGKIGESW-UHFFFAOYSA-N
Molecular Weight 375.775 g/mol
SMILES [nH]1c2c(cccc2c2c1C(OCC2)(CC(=O)OCC)CCl)C(F)(F)F
SPLASH splash10-004r-0049000000-4f5b513b73fe1bf270b7
Source of Spectrum O1-60-1103-34
Wiley ID 1592049