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N-Propyl 11-eicosenoate

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

N-Propyl 11-eicosenoate
SpectraBase Compound ID 6zOizQoiSio
InChI InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h11-12H,3-10,13-22H2,1-2H3/b12-11-
InChIKey VPCFWTFMIZLVDF-QXMHVHEDSA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AdZpZUDLPPa
Name N-Propyl 11-eicosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.334130655 u
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h11-12H,3-10,13-22H2,1-2H3/b12-11-
InChIKey VPCFWTFMIZLVDF-QXMHVHEDSA-N
Molecular Weight 352.603 g/mol
SMILES C(CCCCCCCC\C=C/CCCCCCCC)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961962