SpectraBase Compound ID | K4zOvcCQLlZ |
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InChI | InChI=1S/C16H24O2/c1-15(2,3)12-8-11(14(17)18-7)9-13(10-12)16(4,5)6/h8-10H,1-7H3 |
InChIKey | ZEIOQJMJXFVPOG-UHFFFAOYSA-N |
Mol Weight | 248.37 g/mol |
Molecular Formula | C16H24O2 |
Exact Mass | 248.17763 g/mol |
SpectraBase Spectrum ID | FdPhJX0ZeP1 |
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Name | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-, methyl ester; methyl 3,5-di-tert-butylbenzoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 248.177630011 u |
Formula | C16H24O2 |
InChI | InChI=1S/C16H24O2/c1-15(2,3)12-8-11(14(17)18-7)9-13(10-12)16(4,5)6/h8-10H,1-7H3 |
InChIKey | ZEIOQJMJXFVPOG-UHFFFAOYSA-N |
Molecular Weight | 248.366 g/mol |
SMILES | C1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(OC)=O |