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2H-Pyran-2,4-dione, tetrahydro-3,5,5-trimethyl-6-propyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2H-Pyran-2,4-dione, tetrahydro-3,5,5-trimethyl-6-propyl-
SpectraBase Compound ID A9MIMoJD33x
InChI InChI=1S/C11H18O3/c1-5-6-8-11(3,4)9(12)7(2)10(13)14-8/h7-8H,5-6H2,1-4H3
InChIKey WEQYBNMVLSUOSF-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 58W7LyMuYI6
Name 2H-Pyran-2,4-dione, tetrahydro-3,5,5-trimethyl-6-propyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.125594437 u
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-5-6-8-11(3,4)9(12)7(2)10(13)14-8/h7-8H,5-6H2,1-4H3
InChIKey WEQYBNMVLSUOSF-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(C(C(CCC)OC(C1C)=O)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921313