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1,6-Dioxaspiro[4.5]decane, butanoic acid deriv.

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1,6-Dioxaspiro[4.5]decane, butanoic acid deriv.
SpectraBase Compound ID JF1YCnt1rjt
InChI InChI=1S/C21H26O7/c1-5-6-7-8-9-17-19(27-18(23)12-14(2)3)20(24)21(28-17)11-10-16(13-25-21)26-15(4)22/h9,14,16,19-20,24H,10-13H2,1-4H3/b17-9+/t16-,19+,20-,21+/m0/s1
InChIKey HKCLJBNDOMXPCY-CTJDIJSBSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVECiCsR1hC
Name 1,6-Dioxaspiro[4.5]decane, butanoic acid deriv.
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.167853170 u
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-5-6-7-8-9-17-19(27-18(23)12-14(2)3)20(24)21(28-17)11-10-16(13-25-21)26-15(4)22/h9,14,16,19-20,24H,10-13H2,1-4H3/b17-9+/t16-,19+,20-,21+/m0/s1
InChIKey HKCLJBNDOMXPCY-CTJDIJSBSA-N
Molecular Weight 390.432 g/mol
SMILES [C@@]12([C@]([C@](OC(=O)CC(C)C)(\C(O2)=C/C#CC#CC)[H])(O)[H])OC[C@@](OC(=O)C)(CC1)[H]