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Fragranyl isovaalerate

View entire compound with spectra: 1 NMR, and 1 FTIR

Fragranyl isovaalerate
SpectraBase Compound ID 8LzoVjAsG86
InChI InChI=1S/C15H26O2/c1-11(2)10-14(16)17-9-8-15(5)7-6-13(15)12(3)4/h11,13H,3,6-10H2,1-2,4-5H3
InChIKey YERQGDXMKGZPCZ-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Gl8G04KFB9
Name Fragranyl isovaalerate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-11(2)10-14(16)17-9-8-15(5)7-6-13(15)12(3)4/h11,13H,3,6-10H2,1-2,4-5H3
InChIKey YERQGDXMKGZPCZ-UHFFFAOYSA-N
Molecular Weight 238.371 g/mol
SMILES C(CC(C)C)(=O)OCCC1(C(CC1)C(=C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930226