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6,10,13-Trimethyltetradecyl isovalerate

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

6,10,13-Trimethyltetradecyl isovalerate
SpectraBase Compound ID ALAvpUSOcWu
InChI InChI=1S/C22H44O2/c1-18(2)14-15-21(6)13-10-12-20(5)11-8-7-9-16-24-22(23)17-19(3)4/h18-21H,7-17H2,1-6H3
InChIKey APHRWGIGLRUJLA-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6VL5Aa1egN3
Name 6,10,13-Trimethyltetradecyl isovalerate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.334130655 u
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-18(2)14-15-21(6)13-10-12-20(5)11-8-7-9-16-24-22(23)17-19(3)4/h18-21H,7-17H2,1-6H3
InChIKey APHRWGIGLRUJLA-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(CCCC(CCCCCOC(=O)CC(C)C)C)(CCC(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862974