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4,6-Bis(hydroxymethyl)-3-methyl-2-phenylhexahydropentalen-1(2H)-one

View entire compound with spectra: 1 MS (GC)

4,6-Bis(hydroxymethyl)-3-methyl-2-phenylhexahydropentalen-1(2H)-one
SpectraBase Compound ID 3ULah3netFY
InChI InChI=1S/C17H22O3/c1-10-14-12(8-18)7-13(9-19)16(14)17(20)15(10)11-5-3-2-4-6-11/h2-6,10,12-16,18-19H,7-9H2,1H3
InChIKey OJYLWIWTFHSFRD-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jA6I6V1MWq
Name 4,6-Bis(hydroxymethyl)-3-methyl-2-phenylhexahydropentalen-1(2H)-one
Alternate Name(s) 4,6-bis(hydroxymethyl)-3-methyl-2-phenylhexahydro-1(2H)-pentalenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-10-14-12(8-18)7-13(9-19)16(14)17(20)15(10)11-5-3-2-4-6-11/h2-6,10,12-16,18-19H,7-9H2,1H3
InChIKey OJYLWIWTFHSFRD-UHFFFAOYSA-N
Molecular Weight 274.360 g/mol
SMILES OCC1C2C(C(C(C2C(CO)C1)C)c1ccccc1)=O
SPLASH splash10-014i-6920000000-476ac411f1dc54a901ea
Source of Spectrum K1-0-2221-10
Wiley ID 1588876