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[4-Hydroxymethyl-2-propyl-3-phenyl-1-oxooctahydropentalen-6-yl]methyl acetate
SpectraBase Compound ID 9DnUctj4WUr
InChI InChI=1S/C21H28O4/c1-3-7-17-18(14-8-5-4-6-9-14)19-15(11-22)10-16(12-25-13(2)23)20(19)21(17)24/h4-6,8-9,15-20,22H,3,7,10-12H2,1-2H3
InChIKey UKZSIGVSVSAPDG-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7D25Lu72Z0I
Name [4-Hydroxymethyl-2-propyl-3-phenyl-1-oxooctahydropentalen-6-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-3-7-17-18(14-8-5-4-6-9-14)19-15(11-22)10-16(12-25-13(2)23)20(19)21(17)24/h4-6,8-9,15-20,22H,3,7,10-12H2,1-2H3
InChIKey UKZSIGVSVSAPDG-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES OCC1C2C(C(C(C2C(COC(C)=O)C1)=O)CCC)c1ccccc1
SPLASH splash10-00l6-8950000000-a73162bbcb8c21263923
Source of Spectrum K1-0-2223-4
Synonyms [3-(hydroxymethyl)-6-oxo-4-phenyl-5-propyloctahydro-1-pentalenyl]methyl acetate
Wiley ID 1588870