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Acetic acid 1,4-dimethylpent-4-enyl ester
SpectraBase Compound ID BMiFPMcdSCf
InChI InChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h8H,1,5-6H2,2-4H3
InChIKey LPUVJRVSBZNREN-UHFFFAOYSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GL9TMhbyS0q
Name Acetic acid, 1,4-dimethylpent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h8H,1,5-6H2,2-4H3
InChIKey LPUVJRVSBZNREN-UHFFFAOYSA-N
Molecular Weight 156.225 g/mol
SMILES C=C(CCC(OC(C)=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922479