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2H-Benz[e]isoindole-2-acetic acid, 1,3-dihydro-7-methoxy-1-thioxo-6-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID KfD8ponIpn5
InChI InChI=1S/C17H14F3NO3S/c1-23-12-6-5-10-11(15(12)17(18,19)20)4-3-9-7-21(8-13(22)24-2)16(25)14(9)10/h3-6H,7-8H2,1-2H3
InChIKey PZFOALVUYXMGBT-UHFFFAOYSA-N
Mol Weight 369.36 g/mol
Molecular Formula C17H14F3NO3S
Exact Mass 369.064649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3no44877SMr
Name 2H-Benz[e]isoindole-2-acetic acid, 1,3-dihydro-7-methoxy-1-thioxo-6-(trifluoromethyl)-, methyl ester
CAS Registry Number 126157-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3NO3S
InChI InChI=1S/C17H14F3NO3S/c1-23-12-6-5-10-11(15(12)17(18,19)20)4-3-9-7-21(8-13(22)24-2)16(25)14(9)10/h3-6H,7-8H2,1-2H3
InChIKey PZFOALVUYXMGBT-UHFFFAOYSA-N
Molecular Weight 369.358 g/mol
SMILES C1(N(Cc2ccc3c(c12)ccc(c3C(F)(F)F)OC)CC(=O)OC)=S
SPLASH splash10-0ce9-0029000000-7d1e463fa2612462f6fd
Source of Spectrum J-55-2702-42
Synonyms 2,3-Dihydro-6-(trifluoromethyl)-7-methoxy-1-thioxo-1H-benz[e]isoindole-2-acetic acid methyl ester Methyl[7-methoxy-1-thioxo-6-(trifluoromethyl)-1,3-dihydro-2H-benzo[e]isoindol-2-yl]acetate
Wiley ID 1353550