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3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8-dimethyl-, [4bS-(4b.alpha.,8.alpha.,8a.beta.)]-
SpectraBase Compound ID CQCsXpbACDL
InChI InChI=1S/C16H22O/c1-11-4-3-9-16(2)14(11)8-6-12-5-7-13(17)10-15(12)16/h5,7,10-11,14,17H,3-4,6,8-9H2,1-2H3/t11-,14+,16+/m1/s1
InChIKey DBCOSABGSIIIFX-WPGHFRTFSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2de5i53oM8d
Name 3-Phenanthrenol, 4B,5,6,7,8,8A,9,10-octahydro-4B,8-dimethyl-, [4bs-(4B.alpha.,8.alpha.,8A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.167065327 u
Formula C16H22O
InChI InChI=1S/C16H22O/c1-11-4-3-9-16(2)14(11)8-6-12-5-7-13(17)10-15(12)16/h5,7,10-11,14,17H,3-4,6,8-9H2,1-2H3/t11-,14+,16+/m1/s1
InChIKey DBCOSABGSIIIFX-WPGHFRTFSA-N
Molecular Weight 230.351 g/mol
SMILES [C@]12(C3=C(C=CC(=C3)O)CC[C@]1([C@](C)(CCC2)[H])[H])C