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3-Neopentyl-5-salicyloyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine
SpectraBase Compound ID 30sK4WqWBMA
InChI InChI=1S/C19H17F3N2O3/c1-18(2,3)8-12-14-15(19(20,21)22)11(9-23-17(14)27-24-12)16(26)10-6-4-5-7-13(10)25/h4-7,9,25H,8H2,1-3H3
InChIKey PBHOSHCQZFTUBX-UHFFFAOYSA-N
Mol Weight 378.35 g/mol
Molecular Formula C19H17F3N2O3
Exact Mass 378.119127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4VPrNWwRHw
Name 3-Neopentyl-5-salicyloyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F3N2O3
InChI InChI=1S/C19H17F3N2O3/c1-18(2,3)8-12-14-15(19(20,21)22)11(9-23-17(14)27-24-12)16(26)10-6-4-5-7-13(10)25/h4-7,9,25H,8H2,1-3H3
InChIKey PBHOSHCQZFTUBX-UHFFFAOYSA-N
Molecular Weight 378.351 g/mol
SMILES Oc1c(C(c2c(c3c(noc3nc2)CC(C)(C)C)C(F)(F)F)=O)cccc1
SPLASH splash10-0a4r-0039000000-86ff6c286b74bbd6dd54
Source of Spectrum F4-41-3877-6e
Wiley ID 1673222