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5-[4-(9-Phenanthrenylmethyl)anilino]-1-pentanol

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

5-[4-(9-Phenanthrenylmethyl)anilino]-1-pentanol
SpectraBase Compound ID AN25tNdrFTx
InChI InChI=1S/C26H27NO/c28-17-7-1-6-16-27-23-14-12-20(13-15-23)18-22-19-21-8-2-3-9-24(21)26-11-5-4-10-25(22)26/h2-5,8-15,19,27-28H,1,6-7,16-18H2
InChIKey OZKCUIBLUPPRDS-UHFFFAOYSA-N
Mol Weight 369.51 g/mol
Molecular Formula C26H27NO
Exact Mass 369.209264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKZrySWdXsM
Name 5-[4-(9-Phenanthrenylmethyl)anilino]-1-pentanol
Comments Computed using HOSE algorithm
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Exact Mass 369.209264492 u
Formula C26H27NO
InChI InChI=1S/C26H27NO/c28-17-7-1-6-16-27-23-14-12-20(13-15-23)18-22-19-21-8-2-3-9-24(21)26-11-5-4-10-25(22)26/h2-5,8-15,19,27-28H,1,6-7,16-18H2
InChIKey OZKCUIBLUPPRDS-UHFFFAOYSA-N
Molecular Weight 369.508 g/mol
SMILES C1(=C2C(C=CC=C2)=C2C(=C1)C=CC=C2)CC=1C=CC(=CC1)NCCCCCO