SpectraBase Compound ID | JMaLmHc7XOM |
---|---|
InChI | InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h7-8H,3-6,9-16H2,1-2H3/b8-7- |
InChIKey | FDUURQHLBXRCMJ-FPLPWBNLSA-N |
Mol Weight | 268.4 g/mol |
Molecular Formula | C17H32O2 |
Exact Mass | 268.24023 g/mol |
SpectraBase Spectrum ID | BHK0D3t3Jnz |
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Name | N-Propyl 9-tetradecenoate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 268.240230268 u |
Formula | C17H32O2 |
InChI | InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h7-8H,3-6,9-16H2,1-2H3/b8-7- |
InChIKey | FDUURQHLBXRCMJ-FPLPWBNLSA-N |
SMILES | C(C(=O)OCCC)CCCCCC\C=C/CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960861 |