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1,4,5,8,4a,8a,9a,10a-octahydro-2,3,6,7-tetra-n-anthraquinonepentyl-9,10-
SpectraBase Compound ID 24tezd4sXp0
InChI InChI=1S/C34H56O2/c1-5-9-13-17-25-21-29-30(22-26(25)18-14-10-6-2)34(36)32-24-28(20-16-12-8-4)27(19-15-11-7-3)23-31(32)33(29)35/h29-32H,5-24H2,1-4H3
InChIKey PFXWORXCDZVYCL-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C34H56O2
Exact Mass 496.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LflvYLMACY
Name 1,4,5,8,4a,8a,9a,10a-octahydro-2,3,6,7-tetra-n-anthraquinonepentyl-9,10-
CAS Registry Number 113568-74-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H56O2
InChI InChI=1S/C34H56O2/c1-5-9-13-17-25-21-29-30(22-26(25)18-14-10-6-2)34(36)32-24-28(20-16-12-8-4)27(19-15-11-7-3)23-31(32)33(29)35/h29-32H,5-24H2,1-4H3
InChIKey PFXWORXCDZVYCL-UHFFFAOYSA-N
Molecular Weight 496.820 g/mol
SMILES C12C(C(=O)C3C(C2=O)CC(=C(CCCCC)C3)CCCCC)CC(=C(C1)CCCCC)CCCCC
SPLASH splash10-0002-0000900000-e56490b313690059f0a6
Source of Spectrum K-121-1193-11
Synonyms 2,3,6,7-tetrapentyl-1,4,4a,5,8,8a,9a,10a-octahydro-9,10-anthracenedione
Wiley ID 1398362