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(+)-(1S,3R)-4(S)(a)-Isopropyl-4(R)(e)-methyladamantan-2-one
SpectraBase Compound ID 9iw4fgzKBCX
InChI InChI=1S/C14H22O/c1-8(2)3-12-10-4-9-5-11(7-10)14(15)13(12)6-9/h8-13H,3-7H2,1-2H3/t9?,10-,11+,12-,13-/m1/s1
InChIKey HSTOZZUKCWKOPG-ZLOUSURVSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWraJavi3nZ
Name (+)-(1S,3R)-4(S)(A)-isopropyl-4(R)(E)-methyladamantan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-8(2)3-12-10-4-9-5-11(7-10)14(15)13(12)6-9/h8-13H,3-7H2,1-2H3/t9?,10-,11+,12-,13-/m1/s1
InChIKey HSTOZZUKCWKOPG-ZLOUSURVSA-N
Molecular Weight 206.329 g/mol
SMILES [C@@]12(C([C@@]3([H])CC(C2)C[C@@]([C@]1(CC(C)C)[H])(C3)[H])=O)[H]