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KML29

View entire compound with spectra: 1 MS (GC)

KML29
SpectraBase Compound ID 34NRtgD5cTX
InChI InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2
InChIKey SXHQLPHDBLTFPM-UHFFFAOYSA-N
Mol Weight 549.42 g/mol
Molecular Formula C24H21F6NO7
Exact Mass 549.122221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpRQmhQcKAI
Name KML29
Alternate Name(s) 1,1,1,3,3,3-hexafluoropropan-2-yl-4-(bi(benzo[d][1,3]dioxol-5-yl)(hydroxy)methyl)piperidine-1-carboxylate 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(bis(benzo[d][1,3]dioxol-5-yl)(hydroxy)methyl)piperidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21F6NO7
InChI InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2
InChIKey SXHQLPHDBLTFPM-UHFFFAOYSA-N
Molecular Weight 549.422 g/mol
SMILES C(F)(F)(F)C(OC(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1cc2c(cc1)OCO2)O)=O)C(F)(F)F
SPLASH splash10-00dj-3950000000-bc285bc2066d8aae142f
Source of Spectrum SWG-33-3298-0
Wiley ID 1810155