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Benz[h]isoquinoline-2(1H)-acetic acid, 3,4-dihydro-8-methoxy-1-oxo-7-(trifluoromethyl)-
SpectraBase Compound ID 8tRQ7qinzbd
InChI InChI=1S/C17H14F3NO4/c1-25-12-5-4-10-11(15(12)17(18,19)20)3-2-9-6-7-21(8-13(22)23)16(24)14(9)10/h2-5H,6-8H2,1H3,(H,22,23)
InChIKey AHYBDASBPLFUTH-UHFFFAOYSA-N
Mol Weight 353.3 g/mol
Molecular Formula C17H14F3NO4
Exact Mass 353.087492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TpheByR8xr
Name Benz[h]isoquinoline-2(1H)-acetic acid, 3,4-dihydro-8-methoxy-1-oxo-7-(trifluoromethyl)-
CAS Registry Number 126157-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3NO4
InChI InChI=1S/C17H14F3NO4/c1-25-12-5-4-10-11(15(12)17(18,19)20)3-2-9-6-7-21(8-13(22)23)16(24)14(9)10/h2-5H,6-8H2,1H3,(H,22,23)
InChIKey AHYBDASBPLFUTH-UHFFFAOYSA-N
Molecular Weight 353.297 g/mol
SMILES OC(CN1C(c2c3c(c(C(F)(F)F)c(cc3)OC)ccc2CC1)=O)=O
SPLASH splash10-014i-0098000000-bd068ac2f64364483f8a
Source of Spectrum J-55-2700-5
Synonyms (8-methoxy-1-oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[h]isoquinolin-2(1H)-yl)acetic acid 3,4-(dihydro-7-(trifluoromethyl)-8-methoxy-1-oxo-2H-benz[H]isoquinoline-2-acetic acid
Wiley ID 1343833