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Pyran-5-one<2,2-dimethyl-7-isobutyl-2H,5H-pyr
SpectraBase Compound ID Lg9ErHA8equ
InChI InChI=1S/C14H18O3/c1-9(2)7-10-8-12-11(13(15)16-10)5-6-14(3,4)17-12/h5-6,8-9H,7H2,1-4H3
InChIKey YPRGBPOJDMIJCQ-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YcBRED1cH
Name Pyran-5-one <2,2-dimethyl-7-isobutyl-2H,5H-pyranol [4,3-b]->
CAS Registry Number 174844-18-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-9(2)7-10-8-12-11(13(15)16-10)5-6-14(3,4)17-12/h5-6,8-9H,7H2,1-4H3
InChIKey YPRGBPOJDMIJCQ-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
Number of Peaks 50
RI1 1808
SMILES C1=2C(OC(=CC2OC(C=C1)(C)C)CC(C)C)=O
SPLASH splash10-014i-9460000000-d282b49ffb0feeee1dad
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2H,5H-Pyrano[4,3-b]pyran-5-one, 2,2-dimethyl-7-(2-methylpropyl)-
Wiley ID LM_FFNSC3_2322