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PB-22 pentafluorpropyl analogue

View entire compound with spectra: 1 MS (GC)

PB-22 pentafluorpropyl analogue
SpectraBase Compound ID G6Wva3O7pXx
InChI InChI=1S/C17H18F5NO2/c1-2-3-6-9-23-10-13(12-7-4-5-8-14(12)23)15(24)25-11-16(18,19)17(20,21)22/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKey VMWCDOXVHOANNY-UHFFFAOYSA-N
Mol Weight 363.33 g/mol
Molecular Formula C17H18F5NO2
Exact Mass 363.12577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAwq3RgemZf
Name PB-22 pentafluorpropyl analogue
Alternate Name(s) 2,2,3,3,3-pentafluoropropyl-1-pentyl-1H-indole-3-carboxylate 2,2,3,3,3-pentafluoropropyl 1-pentyl-1H-indole-3-carboxylate
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Formula C17H18F5NO2
InChI InChI=1S/C17H18F5NO2/c1-2-3-6-9-23-10-13(12-7-4-5-8-14(12)23)15(24)25-11-16(18,19)17(20,21)22/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKey VMWCDOXVHOANNY-UHFFFAOYSA-N
Molecular Weight 363.328 g/mol
SMILES c1[n](c2ccccc2c1C(=O)OCC(C(F)(F)F)(F)F)CCCCC
SPLASH splash10-0bt9-1619000000-b43601cd41fc79b08bfb
Source of Spectrum SWG-33-4001-0
Wiley ID 1810659