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4-(4',4',8'-Trimethyltricyclo[6.3.1.0(2,5)]dodec-1'-yloxy)phenol
SpectraBase Compound ID DZIZviR7ny8
InChI InChI=1S/C21H30O2/c1-19(2)13-18-17(19)9-12-20(3)10-4-11-21(18,14-20)23-16-7-5-15(22)6-8-16/h5-8,17-18,22H,4,9-14H2,1-3H3/t17-,18+,20+,21-/m1/s1
InChIKey DQHZBTVQAYEXPX-YXYSEUPNSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IzRKRIbpgE
Name 4-(4',4',8'-Trimethyltricyclo[6.3.1.0(2,5)]dodec-1'-yloxy)phenol
Comments Computed using HOSE algorithm
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Exact Mass 314.224580204 u
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-19(2)13-18-17(19)9-12-20(3)10-4-11-21(18,14-20)23-16-7-5-15(22)6-8-16/h5-8,17-18,22H,4,9-14H2,1-3H3/t17-,18+,20+,21-/m1/s1
InChIKey DQHZBTVQAYEXPX-YXYSEUPNSA-N
Molecular Weight 314.469 g/mol
SMILES [C@@]12([C@@]3([C@](CC[C@](C2)(C)CCC1)([H])C(C3)(C)C)[H])OC1=CC=C(C=C1)O