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JWH-642
SpectraBase Compound ID 2inPCWSsNnK
InChI InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChIKey AVSCNEOUWSVZEY-UHFFFAOYSA-N
Mol Weight 462.39 g/mol
Molecular Formula C21H20F6N2O3
Exact Mass 462.137811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91C1kqQH3T4
Name JW 642
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20F6N2O3
InChI InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChIKey AVSCNEOUWSVZEY-UHFFFAOYSA-N
Molecular Weight 462.392 g/mol
SMILES C1N(CCN(C1)Cc1cc(ccc1)Oc1ccccc1)C(=O)OC(C(F)(F)F)C(F)(F)F
SPLASH splash10-001i-3900000000-a26da3ad6b5d2b71c2f0
Source of Spectrum SWG-33-3294-0
Synonyms 1,1,1,3,3,3-hexafluoropropan-2-yl-4-(3-phenoxybenzyl)piperazine-1-carboxylate 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(3-phenoxybenzyl)piperazine-1-carboxylate
Wiley ID 1810152