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1,5-bis[2',6',6'-Trimethylcyclohex-1'-enyl]-3-(acetoxy)pentane

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

1,5-bis[2',6',6'-Trimethylcyclohex-1'-enyl]-3-(acetoxy)pentane
SpectraBase Compound ID HCWvHUZGXIX
InChI InChI=1S/C25H42O2/c1-18-10-8-16-24(4,5)22(18)14-12-21(27-20(3)26)13-15-23-19(2)11-9-17-25(23,6)7/h21H,8-17H2,1-7H3
InChIKey DFABFDAYYKWLTH-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C25H42O2
Exact Mass 374.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzLHQiML0lX
Name 1,5-bis[2',6',6'-Trimethylcyclohex-1'-enyl]-3-(acetoxy)pentane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.318480590 u
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-18-10-8-16-24(4,5)22(18)14-12-21(27-20(3)26)13-15-23-19(2)11-9-17-25(23,6)7/h21H,8-17H2,1-7H3
InChIKey DFABFDAYYKWLTH-UHFFFAOYSA-N
Molecular Weight 374.609 g/mol
SMILES C1(=C(CCCC1(C)C)C)CCC(OC(=O)C)CCC1=C(CCCC1(C)C)C