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2-Heptenoic acid, tetradecyl ester

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2-Heptenoic acid, tetradecyl ester
SpectraBase Compound ID Ao4dDnD9iO8
InChI InChI=1S/C21H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-23-21(22)19-17-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3/b19-17+
InChIKey AMPRVZKSBYRTAV-HTXNQAPBSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5SIwCTc6RW1
Name 2-Heptenoic acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.302830526 u
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-23-21(22)19-17-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3/b19-17+
InChIKey AMPRVZKSBYRTAV-HTXNQAPBSA-N
Molecular Weight 324.549 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95832