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[6-Hydroxymethyl-3-butyl-2-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
SpectraBase Compound ID B7OIaCbUSoD
InChI InChI=1S/C22H30O4/c1-3-4-10-18-19-17(13-26-14(2)24)11-16(12-23)21(19)22(25)20(18)15-8-6-5-7-9-15/h5-9,16-21,23H,3-4,10-13H2,1-2H3
InChIKey IEXINVOQFHAFPN-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89xSRVw119M
Name [6-Hydroxymethyl-3-butyl-2-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
Alternate Name(s) [6-butyl-3-(hydroxymethyl)-4-oxo-5-phenyloctahydro-1-pentalenyl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-3-4-10-18-19-17(13-26-14(2)24)11-16(12-23)21(19)22(25)20(18)15-8-6-5-7-9-15/h5-9,16-21,23H,3-4,10-13H2,1-2H3
InChIKey IEXINVOQFHAFPN-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES OCC1CC(COC(C)=O)C2C(C(C(C12)=O)c1ccccc1)CCCC
SPLASH splash10-0gbc-5912000000-89f141c3a585cb0dc76a
Source of Spectrum K1-0-2224-5
Wiley ID 1588847