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4,6-Bis(hydroxymethyl)-3-phenyl-2-propylhexahydropentalen-1(2H)-one

View entire compound with spectra: 1 MS (GC)

4,6-Bis(hydroxymethyl)-3-phenyl-2-propylhexahydropentalen-1(2H)-one
SpectraBase Compound ID CTyTRwAJJFN
InChI InChI=1S/C19H26O3/c1-2-6-15-16(12-7-4-3-5-8-12)17-13(10-20)9-14(11-21)18(17)19(15)22/h3-5,7-8,13-18,20-21H,2,6,9-11H2,1H3
InChIKey GQQDEQRHQMPRQW-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oM4Rzoe9r5
Name 4,6-Bis(hydroxymethyl)-3-phenyl-2-propylhexahydropentalen-1(2H)-one
Alternate Name(s) 4,6-bis(hydroxymethyl)-3-phenyl-2-propylhexahydro-1(2H)-pentalenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-2-6-15-16(12-7-4-3-5-8-12)17-13(10-20)9-14(11-21)18(17)19(15)22/h3-5,7-8,13-18,20-21H,2,6,9-11H2,1H3
InChIKey GQQDEQRHQMPRQW-UHFFFAOYSA-N
Molecular Weight 302.414 g/mol
SMILES OCC1C2C(C(C(C2C(CO)C1)c1ccccc1)CCC)=O
SPLASH splash10-0296-8980000000-18a8446b2ba98378fd75
Source of Spectrum K1-0-2219-10
Wiley ID 1588886