SpectraBase Compound ID | 4ECsLKdqd0e |
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InChI | InChI=1S/C16H22O6/c1-3-4-7-10-21-15(17)11-20-12-16(18)22-14-9-6-5-8-13(14)19-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3 |
InChIKey | ZEWVOVSATUOAKC-UHFFFAOYSA-N |
Mol Weight | 310.35 g/mol |
Molecular Formula | C16H22O6 |
Exact Mass | 310.141638 g/mol |
SpectraBase Spectrum ID | EYACZvy8gVH |
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Name | Diglycolic acid, 2-methoxyphenyl pentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 310.141638422 u |
Formula | C16H22O6 |
InChI | InChI=1S/C16H22O6/c1-3-4-7-10-21-15(17)11-20-12-16(18)22-14-9-6-5-8-13(14)19-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3 |
InChIKey | ZEWVOVSATUOAKC-UHFFFAOYSA-N |
Molecular Weight | 310.346 g/mol |
SMILES | C(COCC(=O)OCCCCC)(=O)OC1=C(OC)C=CC=C1 |