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4,6-Bis(hydroxymethyl)-2-hexyl-3-methylhexahydropentalen-1(2H)-one
SpectraBase Compound ID 6TnXmTLtS5G
InChI InChI=1S/C17H30O3/c1-3-4-5-6-7-14-11(2)15-12(9-18)8-13(10-19)16(15)17(14)20/h11-16,18-19H,3-10H2,1-2H3
InChIKey OFJNUAXEHVFJQZ-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 GQ3ypPtUlHA
Name 4,6-Bis(hydroxymethyl)-2-hexyl-3-methylhexahydropentalen-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-3-4-5-6-7-14-11(2)15-12(9-18)8-13(10-19)16(15)17(14)20/h11-16,18-19H,3-10H2,1-2H3
InChIKey OFJNUAXEHVFJQZ-UHFFFAOYSA-N
Molecular Weight 282.424 g/mol
SMILES OCC1C2C(C(C(C2C(CO)C1)C)CCCCCC)=O
SPLASH splash10-001i-3910000000-cb2d6911d1e0ff9e5255
Source of Spectrum K1-0-2219-10
Synonyms 2-Hexyl-4,6-bis(hydroxymethyl)-3-methylhexahydro-1(2H)-pentalenone
Wiley ID 1588879