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5-trifluoromethyl Isotonitazene

View entire compound with spectra: 1 MS (GC)

5-trifluoromethyl Isotonitazene
SpectraBase Compound ID EucdC16iBsD
InChI InChI=1S/C24H30F3N3O/c1-5-29(6-2)13-14-30-22-12-9-19(24(25,26)27)16-21(22)28-23(30)15-18-7-10-20(11-8-18)31-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKey NUANASXQUDBWLE-UHFFFAOYSA-N
Mol Weight 433.52 g/mol
Molecular Formula C24H30F3N3O
Exact Mass 433.234097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb2ovjBffjJ
Name 5-trifluoromethyl Isotonitazene
Catalog Number 34893
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30F3N3O
InChI InChI=1S/C24H30F3N3O/c1-5-29(6-2)13-14-30-22-12-9-19(24(25,26)27)16-21(22)28-23(30)15-18-7-10-20(11-8-18)31-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKey NUANASXQUDBWLE-UHFFFAOYSA-N
Molecular Weight 433.519 g/mol
SMILES CCN(CC)CC[n]1c(Cc2ccc(OC(C)C)cc2)nc2cc(C(F)(F)F)ccc12
SPLASH splash10-000i-9100000000-d5107f492352fd9b55da
Source of Spectrum CAY-2023-2080-0
Wiley ID 1890016