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(R)-1-Benzyloxy-10-methyltridecane

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

(R)-1-Benzyloxy-10-methyltridecane
SpectraBase Compound ID 4jerBvgKE9B
InChI InChI=1S/C21H36O/c1-3-14-20(2)15-10-7-5-4-6-8-13-18-22-19-21-16-11-9-12-17-21/h9,11-12,16-17,20H,3-8,10,13-15,18-19H2,1-2H3/t20-/m1/s1
InChIKey UPAYNTKFFAZWJU-HXUWFJFHSA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H36O
Exact Mass 304.276616 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B20lwmB2wh5
Name (R)-1-Benzyloxy-10-methyltridecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.276615778 u
Formula C21H36O
InChI InChI=1S/C21H36O/c1-3-14-20(2)15-10-7-5-4-6-8-13-18-22-19-21-16-11-9-12-17-21/h9,11-12,16-17,20H,3-8,10,13-15,18-19H2,1-2H3/t20-/m1/s1
InChIKey UPAYNTKFFAZWJU-HXUWFJFHSA-N
Molecular Weight 304.518 g/mol
SMILES C=1(COCCCCCCCCC[C@@](CCC)(C)[H])C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833871