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4,6-Bis(hydroxymethyl)-2-butyl-3-phenylhexahydropentalen-1(2H)-one
SpectraBase Compound ID 5OZHF7uBV9L
InChI InChI=1S/C20H28O3/c1-2-3-9-16-17(13-7-5-4-6-8-13)18-14(11-21)10-15(12-22)19(18)20(16)23/h4-8,14-19,21-22H,2-3,9-12H2,1H3
InChIKey UGHYKNSEZKLRIY-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ikiD7SXfDf
Name 4,6-Bis(hydroxymethyl)-2-butyl-3-phenylhexahydropentalen-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-2-3-9-16-17(13-7-5-4-6-8-13)18-14(11-21)10-15(12-22)19(18)20(16)23/h4-8,14-19,21-22H,2-3,9-12H2,1H3
InChIKey UGHYKNSEZKLRIY-UHFFFAOYSA-N
Molecular Weight 316.441 g/mol
SMILES OCC1C2C(C(C(C2C(CO)C1)c1ccccc1)CCCC)=O
SPLASH splash10-0gbc-7962000000-b89b159db916cce3bd86
Source of Spectrum K1-0-2219-10
Synonyms 2-Butyl-4,6-bis(hydroxymethyl)-3-phenylhexahydro-1(2H)-pentalenone
Wiley ID 1588883