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

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

4-(Heptadec-8'-enyl)-2,2-dimethyl-1,3-benzodioxole
SpectraBase Compound ID AJMfFrJFHfn
InChI InChI=1S/C26H42O2/c1-5-7-9-11-12-14-16-19-22(18-15-13-10-8-6-2)23-20-17-21-24-25(23)28-26(3,4)27-24/h17,19-21H,5-16,18H2,1-4H3/b22-19+
InChIKey UNAKJNRICPCWFZ-ZBJSNUHESA-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 DquKcNDJayv
Name 4-(Heptadec-8'-enyl)-2,2-dimethyl-1,3-benzodioxole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.318480590 u
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-5-7-9-11-12-14-16-19-22(18-15-13-10-8-6-2)23-20-17-21-24-25(23)28-26(3,4)27-24/h17,19-21H,5-16,18H2,1-4H3/b22-19+
InChIKey UNAKJNRICPCWFZ-ZBJSNUHESA-N
Molecular Weight 386.620 g/mol
SMILES C=12OC(C)(C)OC2=CC=CC1\C(=C\CCCCCCCC)CCCCCCC