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Oxabolone cipionate P1492

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

Oxabolone cipionate P1492
SpectraBase Compound ID LjUJ7bHT5k9
InChI InChI=1S/C26H38O4/c1-26-15-14-18-17-9-11-22(27)25(29)20(17)8-7-19(18)21(26)10-12-23(26)30-24(28)13-6-16-4-2-3-5-16/h16-19,21,23,29H,2-15H2,1H3
InChIKey KHKDIUPVDIEHAH-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wZDbx9gA2a
Name Oxabolone cipionate P1492
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.277009700 u
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-26-15-14-18-17-9-11-22(27)25(29)20(17)8-7-19(18)21(26)10-12-23(26)30-24(28)13-6-16-4-2-3-5-16/h16-19,21,23,29H,2-15H2,1H3
InChIKey KHKDIUPVDIEHAH-UHFFFAOYSA-N
Molecular Weight 414.586 g/mol
SMILES C1CC2C3C(CCC2=C(C1=O)O)C1CCC(C1(C)CC3)OC(CCC1CCCC1)=O