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[4-Hydroxymethyl-2-hexyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate
SpectraBase Compound ID Ao2yLt3nfDm
InChI InChI=1S/C22H38O4/c1-4-6-8-9-11-19-18(10-7-5-2)20-16(13-23)12-17(14-26-15(3)24)21(20)22(19)25/h16-21,23H,4-14H2,1-3H3
InChIKey KOVQJVUDAYYWNP-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 6T4meFMTSio
Name [4-Hydroxymethyl-2-hexyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate
Alternate Name(s) [4-butyl-5-hexyl-3-(hydroxymethyl)-6-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)20-16(13-23)12-17(14-26-15(3)24)21(20)22(19)25/h16-21,23H,4-14H2,1-3H3
InChIKey KOVQJVUDAYYWNP-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES OCC1C2C(C(C(C2C(COC(C)=O)C1)=O)CCCCCC)CCCC
SPLASH splash10-004i-5791000000-3bc24007dd40a54d156d
Source of Spectrum K1-0-2223-4
Wiley ID 1588854