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5-(Heptadec-8'-enyl)-2,2-dimethyl-1,3-benzodioxole

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

5-(Heptadec-8'-enyl)-2,2-dimethyl-1,3-benzodioxole
SpectraBase Compound ID FcDViUpr7BK
InChI InChI=1S/C26H42O2/c1-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-2)23-19-20-24-25(21-23)28-26(3,4)27-24/h18-21H,5-17H2,1-4H3/b22-18+
InChIKey XTPFXYBWIOGDMN-RELWKKBWSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LyjdW4OnN0
Name 5-(Heptadec-8'-enyl)-2,2-dimethyl-1,3-benzodioxole
Comments Computed using HOSE algorithm
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Exact Mass 386.318480590 u
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-2)23-19-20-24-25(21-23)28-26(3,4)27-24/h18-21H,5-17H2,1-4H3/b22-18+
InChIKey XTPFXYBWIOGDMN-RELWKKBWSA-N
Molecular Weight 386.620 g/mol
SMILES C1(OC2=CC(\C(=C\CCCCCCCC)CCCCCCC)=CC=C2O1)(C)C