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5-[1'-(Morpholin-4"-yl)ethyl]-2-(4"'-trifluoromethyl)phenylspiro[cyclopropane-1',4-(3a,4,7,7a-tetrahydroisoindole)]-1,3-dione

View entire compound with spectra: 2 MS (GC)

5-[1'-(Morpholin-4"-yl)ethyl]-2-(4"'-trifluoromethyl)phenylspiro[cyclopropane-1',4-(3a,4,7,7a-tetrahydroisoindole)]-1,3-dione
SpectraBase Compound ID 9DKqMRQXwUR
InChI InChI=1S/C23H25F3N2O3/c1-14(27-10-12-31-13-11-27)18-7-6-17-19(22(18)8-9-22)21(30)28(20(17)29)16-4-2-15(3-5-16)23(24,25)26/h2-5,7,14,17,19H,6,8-13H2,1H3
InChIKey BVADHGBXSZAPDS-UHFFFAOYSA-N
Mol Weight 434.46 g/mol
Molecular Formula C23H25F3N2O3
Exact Mass 434.181727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWn4JK6dzqh
Name 5-[1'-(Morpholin-4"-yl)ethyl]-2-(4"'-trifluoromethyl)phenylspiro[cyclopropane-1',4-(3a,4,7,7a-tetrahydroisoindole)]-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F3N2O3
InChI InChI=1S/C23H25F3N2O3/c1-14(27-10-12-31-13-11-27)18-7-6-17-19(22(18)8-9-22)21(30)28(20(17)29)16-4-2-15(3-5-16)23(24,25)26/h2-5,7,14,17,19H,6,8-13H2,1H3
InChIKey BVADHGBXSZAPDS-UHFFFAOYSA-N
Molecular Weight 434.459 g/mol
SMILES C12(C3C(N(c4ccc(C(F)(F)F)cc4)C(C3CC=C1C(N1CCOCC1)C)=O)=O)CC2
SPLASH splash10-02t9-1500900000-d45deebd819cae1f5a1a
Source of Spectrum KC-61-11364-29
Synonyms 5-[1'-(Morpholin-4''-yl)ethyl]-2-(4'''-trifluoromethyl)phenylspiro[cyclopropane-1',4-(3a,4,7,7a-tetrahydroisoindole)]-1,3-dione isomer 5'-[1-(morpholin-4-yl)ethyl]-2'-[4-(trifluoromethyl)phenyl]-1',2',3',3'a,7',7'a-hexahydrospiro[cyclopropane-1,4'-isoindole]-1',3'-dione
Wiley ID 1631387