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4,6-Bis(hydroxymethyl)-3-butyl-2-propylhexahydropentalen-1(2H)-one
SpectraBase Compound ID LKBcJtiRdvK
InChI InChI=1S/C17H30O3/c1-3-5-7-13-14(6-4-2)17(20)16-12(10-19)8-11(9-18)15(13)16/h11-16,18-19H,3-10H2,1-2H3
InChIKey MYOJAHASMLUBQE-UHFFFAOYSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3i87cMkotPH
Name 4,6-Bis(hydroxymethyl)-3-butyl-2-propylhexahydropentalen-1(2H)-one
Alternate Name(s) 3-Butyl-4,6-bis(hydroxymethyl)-2-propylhexahydro-1(2H)-pentalenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-3-5-7-13-14(6-4-2)17(20)16-12(10-19)8-11(9-18)15(13)16/h11-16,18-19H,3-10H2,1-2H3
InChIKey MYOJAHASMLUBQE-UHFFFAOYSA-N
Molecular Weight 282.424 g/mol
SMILES OCC1C2C(C(C(C2C(CO)C1)CCCC)CCC)=O
SPLASH splash10-001i-2900000000-043e5bc0a46998ca6f83
Source of Spectrum K1-0-2219-10
Wiley ID 1588887