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1,2,3,4-Tetrahydro-7-methoxy-6-pentafluoroethylcarbonyloxy-2-pentafluoroethylcarbonyl-isoquinoline
SpectraBase Compound ID 1k7crnRJhWT
InChI InChI=1S/C16H11F10NO4/c1-30-9-5-8-6-27(11(28)13(17,18)15(21,22)23)3-2-7(8)4-10(9)31-12(29)14(19,20)16(24,25)26/h4-5H,2-3,6H2,1H3
InChIKey XWVJYCLRRDUPGG-UHFFFAOYSA-N
Mol Weight 471.25 g/mol
Molecular Formula C16H11F10NO4
Exact Mass 471.052839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 983oIDMHESJ
Name 1,2,3,4-Tetrahydro-7-methoxy-6-pentafluoroethylcarbonyloxy-2-pentafluoroethylcarbonyl-isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F10NO4
InChI InChI=1S/C16H11F10NO4/c1-30-9-5-8-6-27(11(28)13(17,18)15(21,22)23)3-2-7(8)4-10(9)31-12(29)14(19,20)16(24,25)26/h4-5H,2-3,6H2,1H3
InChIKey XWVJYCLRRDUPGG-UHFFFAOYSA-N
Molecular Weight 471.251 g/mol
SMILES C(C(N1Cc2cc(OC)c(cc2CC1)OC(C(C(F)(F)F)(F)F)=O)=O)(C(F)(F)F)(F)F
SPLASH splash10-052b-0095000000-ad72abdbcb8794f9384f
Source of Spectrum KO-2-19-3
Synonyms 7-Methoxy-2-(2,2,3,3,3-pentafluoropropanoyl)-1,2,3,4-tetrahydro-6-isoquinolinyl 2,2,3,3,3-pentafluoropropanoate Pentafluoropropionylderivative of 1,2,3,4-tetrahydro-7-methoxy-6-isoquinolinol
Wiley ID 1393068