SpectraBase Compound ID | FrzcLghzniZ |
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InChI | InChI=1S/C16H29ClO4/c1-3-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-13-14(2)17/h14H,3-13H2,1-2H3 |
InChIKey | BVAPIZLYVSIXCH-UHFFFAOYSA-N |
Mol Weight | 320.86 g/mol |
Molecular Formula | C16H29ClO4 |
Exact Mass | 320.175437 g/mol |
SpectraBase Spectrum ID | 5yTEEngeF14 |
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Name | Adipic acid, 2-chloropropyl heptyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 320.175437110 u |
Formula | C16H29ClO4 |
InChI | InChI=1S/C16H29ClO4/c1-3-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-13-14(2)17/h14H,3-13H2,1-2H3 |
InChIKey | BVAPIZLYVSIXCH-UHFFFAOYSA-N |
Molecular Weight | 320.857 g/mol |
SMILES | C(CCCC(=O)OCC(C)Cl)C(OCCCCCCC)=O |