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2H-Benz[e]isoindole-2-acetic acid, 1,3-dihydro-7-methoxy-1-thioxo-6-(trifluoromethyl)-
SpectraBase Compound ID 4si9XYdHPML
InChI InChI=1S/C16H12F3NO3S/c1-23-11-5-4-9-10(14(11)16(17,18)19)3-2-8-6-20(7-12(21)22)15(24)13(8)9/h2-5H,6-7H2,1H3,(H,21,22)
InChIKey ILNHWKURELBTDN-UHFFFAOYSA-N
Mol Weight 355.33 g/mol
Molecular Formula C16H12F3NO3S
Exact Mass 355.048999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOBncKFTNy5
Name 2H-Benz[e]isoindole-2-acetic acid, 1,3-dihydro-7-methoxy-1-thioxo-6-(trifluoromethyl)-
CAS Registry Number 126157-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3NO3S
InChI InChI=1S/C16H12F3NO3S/c1-23-11-5-4-9-10(14(11)16(17,18)19)3-2-8-6-20(7-12(21)22)15(24)13(8)9/h2-5H,6-7H2,1H3,(H,21,22)
InChIKey ILNHWKURELBTDN-UHFFFAOYSA-N
Molecular Weight 355.331 g/mol
SMILES OC(CN1C(c2c3c(c(C(F)(F)F)c(cc3)OC)ccc2C1)=S)=O
SPLASH splash10-0a4i-0039000000-d1d8edca7354dfa22df0
Source of Spectrum J-55-2702-6
Synonyms 2,3-Dihydro-6-(trifluoromethyl)-7-methoxy-1-thioxo-1H-benz[e]isoindole-2-acetic acid [7-methoxy-1-thioxo-6-(trifluoromethyl)-1,3-dihydro-2H-benzo[e]isoindol-2-yl]acetic acid
Wiley ID 1345134