SpectraBase Compound ID | 6a1MyG2dtvp |
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InChI | InChI=1S/C9H16O4/c1-4-5-6-9(12-7(2)10)13-8(3)11/h9H,4-6H2,1-3H3 |
InChIKey | BMMOLAZQJQAVKF-UHFFFAOYSA-N |
Mol Weight | 188.22 g/mol |
Molecular Formula | C9H16O4 |
Exact Mass | 188.104859 g/mol |
SpectraBase Spectrum ID | oGi6aF6fx9 |
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Name | Pentane-1,1-diol diacetate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.104858991 u |
Formula | C9H16O4 |
InChI | InChI=1S/C9H16O4/c1-4-5-6-9(12-7(2)10)13-8(3)11/h9H,4-6H2,1-3H3 |
InChIKey | BMMOLAZQJQAVKF-UHFFFAOYSA-N |
Molecular Weight | 188.223 g/mol |
SMILES | CCCCC(OC(=O)C)OC(=O)C |