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eg-2201-A (-hf)

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

eg-2201-A (-hf)
SpectraBase Compound ID JbMLn8izz5N
InChI InChI=1S/C28H23NO/c1-2-3-8-18-29-26-15-7-6-13-23(26)25-19-21(16-17-27(25)29)28(30)24-14-9-11-20-10-4-5-12-22(20)24/h2,4-7,9-17,19H,1,3,8,18H2
InChIKey FPGVIBPYRXFMPS-UHFFFAOYSA-N
Mol Weight 389.5 g/mol
Molecular Formula C28H23NO
Exact Mass 389.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kH0i0Hgdfp
Name eg-2201-A (-hf)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.177964364 u
Formula C28H23NO
InChI InChI=1S/C28H23NO/c1-2-3-8-18-29-26-15-7-6-13-23(26)25-19-21(16-17-27(25)29)28(30)24-14-9-11-20-10-4-5-12-22(20)24/h2,4-7,9-17,19H,1,3,8,18H2
InChIKey FPGVIBPYRXFMPS-UHFFFAOYSA-N
Molecular Weight 389.498 g/mol
SMILES C12=C(N(C=3C2=CC=CC3)CCCC=C)C=CC(C(C=2C3=C(C=CC2)C=CC=C3)=O)=C1