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[6-Hydroxymethyl-2-hexyl-3-butyl-1-oxooctahydropentalen-4-yl]methyl acetate
SpectraBase Compound ID RNzSPqCtVl
InChI InChI=1S/C22H38O4/c1-4-6-8-9-11-19-18(10-7-5-2)20-17(14-26-15(3)24)12-16(13-23)21(20)22(19)25/h16-21,23H,4-14H2,1-3H3
InChIKey LBJBWZHLEAJICN-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tyw8GMRNN9
Name [6-Hydroxymethyl-2-hexyl-3-butyl-1-oxooctahydropentalen-4-yl]methyl acetate
Alternate Name(s) [6-butyl-5-hexyl-3-(hydroxymethyl)-4-oxooctahydro-1-pentalenyl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-4-6-8-9-11-19-18(10-7-5-2)20-17(14-26-15(3)24)12-16(13-23)21(20)22(19)25/h16-21,23H,4-14H2,1-3H3
InChIKey LBJBWZHLEAJICN-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES OCC1CC(COC(C)=O)C2C(C(C(C12)=O)CCCCCC)CCCC
SPLASH splash10-004i-2291000000-121649741ef6bc4a07b2
Source of Spectrum K1-0-2223-5
Wiley ID 1588853