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6,7-diheptyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
SpectraBase Compound ID 4KYWB4QEjs8
InChI InChI=1S/C24H38O2/c1-3-5-7-9-11-13-19-17-21-22(24(26)16-15-23(21)25)18-20(19)14-12-10-8-6-4-2/h15-16,21-22H,3-14,17-18H2,1-2H3
InChIKey OMNNIDMFJAXWAW-UHFFFAOYSA-N
Mol Weight 358.6 g/mol
Molecular Formula C24H38O2
Exact Mass 358.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yUPLDkeZH9
Name 6,7-diheptyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CAS Registry Number 113568-68-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O2
InChI InChI=1S/C24H38O2/c1-3-5-7-9-11-13-19-17-21-22(24(26)16-15-23(21)25)18-20(19)14-12-10-8-6-4-2/h15-16,21-22H,3-14,17-18H2,1-2H3
InChIKey OMNNIDMFJAXWAW-UHFFFAOYSA-N
Molecular Weight 358.566 g/mol
SMILES C12C(CC(=C(C2)CCCCCCC)CCCCCCC)C(=O)C=CC1=O
SPLASH splash10-0a4i-0049000000-2ac70f166d1291efb83c
Source of Spectrum K-121-1193-16
Synonyms 6,7-diheptyl-4a,5,8,8a-tetrahydronaphthalene-1,4-quinone
Wiley ID 1347470