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Benz[h]isoquinoline-2(1H)-acetic acid, 3,4-dihydro-8-methoxy-1-oxo-7-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 6tzrKvUFC4I
InChI InChI=1S/C18H16F3NO4/c1-25-13-6-5-11-12(16(13)18(19,20)21)4-3-10-7-8-22(9-14(23)26-2)17(24)15(10)11/h3-6H,7-9H2,1-2H3
InChIKey UFIATPGCACNISE-UHFFFAOYSA-N
Mol Weight 367.32 g/mol
Molecular Formula C18H16F3NO4
Exact Mass 367.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ID8bM5KRiJv
Name Benz[h]isoquinoline-2(1H)-acetic acid, 3,4-dihydro-8-methoxy-1-oxo-7-(trifluoromethyl)-, methyl ester
CAS Registry Number 126157-54-8
Comments Less than 3 mono-isotopic peaks
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Formula C18H16F3NO4
InChI InChI=1S/C18H16F3NO4/c1-25-13-6-5-11-12(16(13)18(19,20)21)4-3-10-7-8-22(9-14(23)26-2)17(24)15(10)11/h3-6H,7-9H2,1-2H3
InChIKey UFIATPGCACNISE-UHFFFAOYSA-N
Molecular Weight 367.324 g/mol
SMILES C1(N(CC(=O)OC)CCc2c1c1c(c(C(F)(F)F)c(cc1)OC)cc2)=O
SPLASH splash10-066r-0009000000-e9f70c0dca94fabbd4cf
Source of Spectrum J-55-2700-28
Synonyms 3,4-Dihydro-7-(trifluoromethyl)-8-methoxy-1-oxo-2H-benz[H]isoquinoline-2-acetic acid methyl ester methyl (8-methoxy-1-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[h]isoquinolin-2(1H)-yl)acetate
Wiley ID 1352478