SpectraBase Compound ID | GoH29DUQFe4 |
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InChI | InChI=1S/C12H16O2/c1-3-4-11(9-13)10-5-7-12(14-2)8-6-10/h5-9,11H,3-4H2,1-2H3/i11D |
InChIKey | VYOPCHJDLKZSHK-WORMITQPSA-N |
Mol Weight | 193.26 g/mol |
Molecular Formula | C12H152DO2 |
Exact Mass | 193.121306 g/mol |
SpectraBase Spectrum ID | D2j0zgPPTnh |
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Name | 2-Deuterio-2-(4-methoxyphenyl)pentanal |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H15DO2 |
InChI | InChI=1S/C12H16O2/c1-3-4-11(9-13)10-5-7-12(14-2)8-6-10/h5-9,11H,3-4H2,1-2H3/i11D |
InChIKey | VYOPCHJDLKZSHK-WORMITQPSA-N |
Molecular Weight | 193.264 g/mol |
SMILES | C(C(CCC)(c1ccc(cc1)OC)[2D])=O |
SPLASH | splash10-00di-0900000000-fa06ca8733e39e13423a |
Source of Spectrum | KC-61-5079-29 |
Wiley ID | 1629269 |