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1,3-Di(octyl)-3,4,6,7,8,8a-hexahydro-1H-isochromene
SpectraBase Compound ID BY6SlUuSQG4
InChI InChI=1S/C25H46O/c1-3-5-7-9-11-13-18-23-21-22-17-15-16-19-24(22)25(26-23)20-14-12-10-8-6-4-2/h17,23-25H,3-16,18-21H2,1-2H3
InChIKey WXFORQDHUXBQQZ-UHFFFAOYSA-N
Mol Weight 362.6 g/mol
Molecular Formula C25H46O
Exact Mass 362.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSgYxiQepE
Name 1,3-Di(octyl)-3,4,6,7,8,8a-hexahydro-1H-isochromene
Alternate Name(s) 1,3-Dioctyl-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H46O
InChI InChI=1S/C25H46O/c1-3-5-7-9-11-13-18-23-21-22-17-15-16-19-24(22)25(26-23)20-14-12-10-8-6-4-2/h17,23-25H,3-16,18-21H2,1-2H3
InChIKey WXFORQDHUXBQQZ-UHFFFAOYSA-N
Molecular Weight 362.642 g/mol
SMILES C=12C(C(CCCCCCCC)OC(C2)CCCCCCCC)CCCC1
SPLASH splash10-00di-9860000000-a8382128670e60b20922
Source of Spectrum C5-2002-939-1
Wiley ID 1614606