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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 FE7fwIUkkgM
Name 2,2-Dimethyl-7-(2-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-5-one
Classification Pyranones and derivatives
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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 14
SMILES C1(=CC2=C(C(O1)=O)C=CC(O2)(C)C)CC(C)C
SPLASH splash10-014i-3290000000-4ab9b3b3312c52907b1d
Source of Spectrum FF-10-367-58 (DOI: 10.1002/ffj.2730100606)
Synonyms 7-isobutyl-2,2-dimethyl-2H,5H-pyrano[4,3-b]pyran-5-one
Wiley ID 1801336