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8-Pivaloyloxygeranyl acetate

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

8-Pivaloyloxygeranyl acetate
SpectraBase Compound ID JDlfGqtZqJy
InChI InChI=1S/C17H28O4/c1-13(10-11-20-15(3)18)8-7-9-14(2)12-21-16(19)17(4,5)6/h9-10H,7-8,11-12H2,1-6H3/b13-10+,14-9+
InChIKey CRQSSWQXTDCQCB-JUCMHCFKSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CqpB0XxV9n8
Name 8-Pivaloyloxygeranyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.198759378 u
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-13(10-11-20-15(3)18)8-7-9-14(2)12-21-16(19)17(4,5)6/h9-10H,7-8,11-12H2,1-6H3/b13-10+,14-9+
InChIKey CRQSSWQXTDCQCB-JUCMHCFKSA-N
Molecular Weight 296.407 g/mol
SMILES C(C(C)(C)C)(OC\C(=C\CC\C(=C\COC(=O)C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958674