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Methyl (4R),5(E)-4-methyl-5,7-octadienoate

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

Methyl (4R),5(E)-4-methyl-5,7-octadienoate
SpectraBase Compound ID IuPCAvKZb5N
InChI InChI=1S/C10H16O2/c1-4-5-6-9(2)7-8-10(11)12-3/h4-6,9H,1,7-8H2,2-3H3/b6-5+/t9-/m0/s1
InChIKey MCOIZVGEGKIQOP-CYNONHLPSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JIDvQCvT4Jv
Name Methyl (4R),5(E)-4-methyl-5,7-octadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-4-5-6-9(2)7-8-10(11)12-3/h4-6,9H,1,7-8H2,2-3H3/b6-5+/t9-/m0/s1
InChIKey MCOIZVGEGKIQOP-CYNONHLPSA-N
Molecular Weight 168.236 g/mol
SMILES C(=O)(CC[C@](\C=C\C=C)(C)[H])OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979568