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I-Propyl 12-methyl-tridecanoate

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

I-Propyl 12-methyl-tridecanoate
SpectraBase Compound ID EcmmqaED9Zu
InChI InChI=1S/C17H34O2/c1-15(2)13-11-9-7-5-6-8-10-12-14-17(18)19-16(3)4/h15-16H,5-14H2,1-4H3
InChIKey OGLLIZLJSTXFCW-UHFFFAOYSA-N
Mol Weight 270.5 g/mol
Molecular Formula C17H34O2
Exact Mass 270.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Jv2cWqFkEK
Name I-Propyl 12-methyl-tridecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.255880333 u
Formula C17H34O2
InChI InChI=1S/C17H34O2/c1-15(2)13-11-9-7-5-6-8-10-12-14-17(18)19-16(3)4/h15-16H,5-14H2,1-4H3
InChIKey OGLLIZLJSTXFCW-UHFFFAOYSA-N
Molecular Weight 270.457 g/mol
SMILES C(CCCCCCCCCC(C)C)C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94978