SpectraBase Compound ID | 27hAQ0siHHC |
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InChI | InChI=1S/C16H30O/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(15)17/h15H,2-14H2,1H3 |
InChIKey | XJDBBMWXVYBUTB-UHFFFAOYSA-N |
Mol Weight | 238.41 g/mol |
Molecular Formula | C16H30O |
Exact Mass | 238.229666 g/mol |
SpectraBase Spectrum ID | DeIwXXFSWnW |
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Name | Cyclopentadecanone, 2-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 238.229665585 u |
Formula | C16H30O |
InChI | InChI=1S/C16H30O/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(15)17/h15H,2-14H2,1H3 |
InChIKey | XJDBBMWXVYBUTB-UHFFFAOYSA-N |
Molecular Weight | 238.415 g/mol |
SMILES | C1CCCCCCC(C(CCCCCC1)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936173 |