SpectraBase Compound ID | 2xkrEpVuf71 |
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InChI | InChI=1S/C12H14/c1-3-4-5-6-12-9-7-11(2)8-10-12/h3,5-10H,1,4H2,2H3/b6-5+ |
InChIKey | LOCQXVXLNVKDLO-AATRIKPKSA-N |
Mol Weight | 158.24 g/mol |
Molecular Formula | C12H14 |
Exact Mass | 158.10955 g/mol |
SpectraBase Spectrum ID | CPCqCpwxSml |
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Name | 1-Methyl-4-[(1E)-penta-1,4-dienyl]benzene |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H14 |
InChI | InChI=1S/C12H14/c1-3-4-5-6-12-9-7-11(2)8-10-12/h3,5-10H,1,4H2,2H3/b6-5+ |
InChIKey | LOCQXVXLNVKDLO-AATRIKPKSA-N |
Molecular Weight | 158.244 g/mol |
SMILES | C(\C=C\c1ccc(cc1)C)C=C |
SPLASH | splash10-0a4l-0900000000-0096c839a2155fa1a61e |
Source of Spectrum | J-63-721-2 |
Wiley ID | 1155999 |