SpectraBase Compound ID | KaC7EfGzIEu |
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InChI | InChI=1S/C16H32O/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h15-16H,3-14H2,1-2H3 |
InChIKey | IKBYSGSLCRPWRO-UHFFFAOYSA-N |
Mol Weight | 240.4 g/mol |
Molecular Formula | C16H32O |
Exact Mass | 240.245316 g/mol |
SpectraBase Spectrum ID | 2bOHurexS7V |
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Name | 14-Methylpentadecanal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 240.245315649 u |
Formula | C16H32O |
InChI | InChI=1S/C16H32O/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h15-16H,3-14H2,1-2H3 |
InChIKey | IKBYSGSLCRPWRO-UHFFFAOYSA-N |
Molecular Weight | 240.431 g/mol |
SMILES | C(=O)CCCCCCCCCCCCC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906843 |