SpectraBase Compound ID | 53akg3mqNZ1 |
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InChI | InChI=1S/C20H39ClO2/c1-3-5-7-8-9-10-11-12-16-19(15-6-4-2)23-20(22)17-13-14-18-21/h19H,3-18H2,1-2H3 |
InChIKey | WRDBNJHXOVIVGG-UHFFFAOYSA-N |
Mol Weight | 347.0 g/mol |
Molecular Formula | C20H39ClO2 |
Exact Mass | 346.263858 g/mol |
SpectraBase Spectrum ID | Hyl4aA3bhzH |
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Name | 5-Chlorovaleric acid, 5-pentadecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 346.263858194 u |
Formula | C20H39ClO2 |
InChI | InChI=1S/C20H39ClO2/c1-3-5-7-8-9-10-11-12-16-19(15-6-4-2)23-20(22)17-13-14-18-21/h19H,3-18H2,1-2H3 |
InChIKey | WRDBNJHXOVIVGG-UHFFFAOYSA-N |
Molecular Weight | 346.983 g/mol |
SMILES | CCCCCCCCCCC(OC(CCCCCl)=O)CCCC |