For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 MS (GC)

4,6-Bis(hydroxymethyl)-2-pentyl-3-phenylhexahydropentalen-1(2H)-one
SpectraBase Compound ID 1fmO9cGa0bz
InChI InChI=1S/C21H30O3/c1-2-3-5-10-17-18(14-8-6-4-7-9-14)19-15(12-22)11-16(13-23)20(19)21(17)24/h4,6-9,15-20,22-23H,2-3,5,10-13H2,1H3
InChIKey SNDWYYDTDBYVMX-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FAtq8H14gW4
Name 4,6-Bis(hydroxymethyl)-2-pentyl-3-phenylhexahydropentalen-1(2H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-2-3-5-10-17-18(14-8-6-4-7-9-14)19-15(12-22)11-16(13-23)20(19)21(17)24/h4,6-9,15-20,22-23H,2-3,5,10-13H2,1H3
InChIKey SNDWYYDTDBYVMX-UHFFFAOYSA-N
Molecular Weight 330.468 g/mol
SMILES OCC1C2C(C(C(C2C(CO)C1)c1ccccc1)CCCCC)=O
SPLASH splash10-0hgo-8893000000-cec966441e0c3a9918a3
Source of Spectrum K1-0-2219-10
Synonyms 4,6-bis(hydroxymethyl)-2-pentyl-3-phenylhexahydro-1(2H)-pentalenone
Wiley ID 1588880