SpectraBase Compound ID | BaBsv8lUJD7 |
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InChI | InChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3/i2D3 |
InChIKey | BLMBNEVGYRXFNA-BMSJAHLVSA-N |
Mol Weight | 139.21 g/mol |
Molecular Formula | C9H9D3O |
Exact Mass | 139.107645 g/mol |
SpectraBase Spectrum ID | 4Xz9Xdn6fVJ |
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Name | 1-Methoxy-2-[(2H3)methyl]-3-methylbenzene |
Comments | Less than 3 mono-isotopic peaks |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H9D3O |
InChI | InChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3/i2D3 |
InChIKey | BLMBNEVGYRXFNA-BMSJAHLVSA-N |
Molecular Weight | 139.212 g/mol |
SMILES | c1(c(OC)cccc1C)C([D])([D])[D] |
SPLASH | splash10-0079-0900000000-80ba7e430bbe603a31fc |
Source of Spectrum | K1-0-5592-14 |
Wiley ID | 1589831 |