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nan
SpectraBase Compound ID AnogFFrccrc
InChI InChI=1S/C10H16.2C7H6O2/c1-2-9-5-8-3-7(1)4-10(9)6-8;2*8-7(9)6-4-2-1-3-5-6/h7-10H,1-6H2;2*1-5H,(H,8,9)/t7-,8-,9?,10?;;/m0../s1
InChIKey PNETZJFBSPKQPS-RQCVWDGXSA-N
Mol Weight 380.48 g/mol
Molecular Formula C24H28O4
Exact Mass 380.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APPVFPt7BXB
Name nan
Comments Computed using HOSE algorithm
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Exact Mass 380.198759378 u
Formula C24H28O4
InChI InChI=1S/C10H16.2C7H6O2/c1-2-9-5-8-3-7(1)4-10(9)6-8;2*8-7(9)6-4-2-1-3-5-6/h7-10H,1-6H2;2*1-5H,(H,8,9)/t7-,8-,9?,10?;;/m0../s1
InChIKey PNETZJFBSPKQPS-RQCVWDGXSA-N
Molecular Weight 380.484 g/mol
Nominal Mass 380 u
SMILES OC(=O)c1ccccc1.C1C[C@@]2(C[C@@]3([C@]1(C[C@](C2)(C3)[H])[H])[H])[H].OC(=O)c1ccccc1