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1H-indole-1-propanoic acid, 4,5,6,7-tetrahydro-2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-
SpectraBase Compound ID 5VAGdEaf8k2
InChI InChI=1S/C16H20Cl3NO3/c1-9-10(6-16(17,18)19)14-11(20(9)5-4-13(22)23)7-15(2,3)8-12(14)21/h4-8H2,1-3H3,(H,22,23)
InChIKey DSKZRYRDERKMLX-UHFFFAOYSA-N
Mol Weight 380.7 g/mol
Molecular Formula C16H20Cl3NO3
Exact Mass 379.050877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1C5vW5TwiFT
Name 3-[2,6,6-trimethyl-4-oxidanylidene-3-[2,2,2-tris(chloranyl)ethyl]-5,7-dihydroindol-1-yl]propanoic acid
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Formula C16H20Cl3NO3
InChI InChI=1S/C16H20Cl3NO3/c1-9-10(6-16(17,18)19)14-11(20(9)5-4-13(22)23)7-15(2,3)8-12(14)21/h4-8H2,1-3H3,(H,22,23)
InChIKey DSKZRYRDERKMLX-UHFFFAOYSA-N
Molecular Weight 380.699 g/mol
SMILES OC(CC[n]1c2c(c(c1C)CC(Cl)(Cl)Cl)C(CC(C)(C)C2)=O)=O
SPLASH splash10-03di-7595000000-8558c5681590dbe3228e
Synonyms 3-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]propanoic acid 3-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-1-yl]propanoic acid 3-[4-keto-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-1-yl]propionic acid
Wiley ID 1453312