SpectraBase Compound ID | EuxJXn58SJH |
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InChI | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(21)19-16-17-19/h19H,2-18H2,1H3 |
InChIKey | NSCKKHGFMYTPBG-UHFFFAOYSA-N |
Mol Weight | 310.5 g/mol |
Molecular Formula | C20H38O2 |
Exact Mass | 310.28718 g/mol |
SpectraBase Spectrum ID | 4bTO7Gtd2yQ |
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Name | Cycloprate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 310.287180462 u |
Formula | C20H38O2 |
InChI | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(21)19-16-17-19/h19H,2-18H2,1H3 |
InChIKey | NSCKKHGFMYTPBG-UHFFFAOYSA-N |
Molecular Weight | 310.522 g/mol |
SMILES | C(OC(C1CC1)=O)CCCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Raman) | 0.967777 |