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3-Pentanone, 1-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-4-hydroxy-4-methyl-, stereoisomer
SpectraBase Compound ID EG2zLbuDgwH
InChI InChI=1S/C15H24O2/c1-14(5-3-4-10(8-16)9-17)11-6-12-13(7-11)15(12,14)2/h8,10-13,17H,3-7,9H2,1-2H3/t10?,11-,12+,13-,14-,15+/m0/s1
InChIKey ZMCMGRPVIBJNQE-YOUDULOPSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCXbulsoAPT
Name 3-Pentanone, 1-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-4-hydroxy-4-methyl-, stereoisomer
CAS Registry Number 88134-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-14(5-3-4-10(8-16)9-17)11-6-12-13(7-11)15(12,14)2/h8,10-13,17H,3-7,9H2,1-2H3/t10?,11-,12+,13-,14-,15+/m0/s1
InChIKey ZMCMGRPVIBJNQE-YOUDULOPSA-N
Molecular Weight 236.355 g/mol
SMILES OCC(C=O)CCC[C@@]1([C@]2([C@@]3(C[C@@]1(C[C@]23[H])[H])[H])C)C
SPLASH splash10-0a4i-9100000000-b70dc2d128570e5800f2
Source of Spectrum H-66-1840-0
Synonyms 13-Hydroxy-.alpha.-santalan-12-one 5-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-(hydroxymethyl)pentanal Tricyclo[2.2.1.0(2,6)]heptane, 3-pentanone deriv.
Wiley ID 1238660