SpectraBase Compound ID | AZwV22b2ASg |
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InChI | InChI=1S/C16H27ClO4/c1-2-3-4-5-6-7-8-9-13-20-15(18)10-11-16(19)21-14-12-17/h10-11H,2-9,12-14H2,1H3/b11-10+ |
InChIKey | PVGIRBRGUBSCNI-ZHACJKMWSA-N |
Mol Weight | 318.84 g/mol |
Molecular Formula | C16H27ClO4 |
Exact Mass | 318.159787 g/mol |
SpectraBase Spectrum ID | AZ33AhNcR39 |
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Name | Fumaric acid, 2-chloroethyl decyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 318.159787045 u |
Formula | C16H27ClO4 |
InChI | InChI=1S/C16H27ClO4/c1-2-3-4-5-6-7-8-9-13-20-15(18)10-11-16(19)21-14-12-17/h10-11H,2-9,12-14H2,1H3/b11-10+ |
InChIKey | PVGIRBRGUBSCNI-ZHACJKMWSA-N |
Molecular Weight | 318.841 g/mol |
SMILES | CCCCCCCCCCOC(\C=C\C(OCCCl)=O)=O |