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2-Heptadec-8-enylcyclobuta[e][1,3]benzoxazole

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

2-Heptadec-8-enylcyclobuta[e][1,3]benzoxazole
SpectraBase Compound ID KZP9curAXxr
InChI InChI=1S/C28H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-29-28-25-20-18-17-19-24(25)22-23-26(28)30-27/h9-10,17-20,22-23H,2-8,11-16,21H2,1H3
InChIKey FNZQFWDXVIPQQQ-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C28H39NO
Exact Mass 405.303165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bgnJVfmJjv
Name 2-Heptadec-8-enylcyclobuta[E][1,3]benzoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.303164879 u
Formula C28H39NO
InChI InChI=1S/C28H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-29-28-25-20-18-17-19-24(25)22-23-26(28)30-27/h9-10,17-20,22-23H,2-8,11-16,21H2,1H3
InChIKey FNZQFWDXVIPQQQ-UHFFFAOYSA-N
Molecular Weight 405.626 g/mol
SMILES C12=C(C3=C(C=C2)OC(=N3)CCCCCCC\C=C\CCCCCCCC)C=CC=C1