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Ephedrine 2HFB @

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ephedrine 2HFB @
SpectraBase Compound ID HDm628Y5w0G
InChI InChI=1S/C18H13F14NO3/c1-8(33(2)11(34)13(19,20)15(23,24)17(27,28)29)10(9-6-4-3-5-7-9)36-12(35)14(21,22)16(25,26)18(30,31)32/h3-8,10H,1-2H3
InChIKey BCMWTPKOZMDVHA-UHFFFAOYSA-N
Mol Weight 557.28 g/mol
Molecular Formula C18H13F14NO3
Exact Mass 557.067188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dRsaRMN1so
Name Ephedrine,N,o-bis(heptafluorobutyryl) deriv.
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.067187562 u
Formula C18H13F14NO3
InChI InChI=1S/C18H13F14NO3/c1-8(33(2)11(34)13(19,20)15(23,24)17(27,28)29)10(9-6-4-3-5-7-9)36-12(35)14(21,22)16(25,26)18(30,31)32/h3-8,10H,1-2H3
InChIKey BCMWTPKOZMDVHA-UHFFFAOYSA-N
Molecular Weight 557.284 g/mol
SMILES C(OC(C=1C=CC=CC1)C(C)N(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C)(=O)C(C(C(F)(F)F)(F)F)(F)F